(s)-n-boc-4-fluorophenylglycine

Modify Date: 2024-01-09 17:41:03

(s)-n-boc-4-fluorophenylglycine Structure
(s)-n-boc-4-fluorophenylglycine structure
Common Name (s)-n-boc-4-fluorophenylglycine
CAS Number 142186-36-5 Molecular Weight 269.269
Density 1.2±0.1 g/cm3 Boiling Point 408.4±40.0 °C at 760 mmHg
Molecular Formula C13H16FNO4 Melting Point 130.2ºC
MSDS N/A Flash Point 200.8±27.3 °C

 Names

Name (2S)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 408.4±40.0 °C at 760 mmHg
Melting Point 130.2ºC
Molecular Formula C13H16FNO4
Molecular Weight 269.269
Flash Point 200.8±27.3 °C
Exact Mass 269.106323
PSA 75.63000
LogP 2.80
Appearance of Characters Powder | White
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.520

 MSDS

Name: (S)-N-BOC-4-Fluorophenylglycine, 95%, (98% E.E.) Material Safety Data Sheet
Synonym: (L)-N-tert-Butoxycarbonyl-alpha-(4-Fluorophenyl)Acetic Acid.
CAS: 142186-36-5
Section 1 - Chemical Product MSDS Name: (S)-N-BOC-4-Fluorophenylglycine, 95%, (98% E.E.) Material Safety Data Sheet
Synonym: (L)-N-tert-Butoxycarbonyl-alpha-(4-Fluorophenyl)Acetic Acid.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
142186-36-5 (S)-N-BOC-4-Fluorophenylglycine 95% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 142186-36-5: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: white to off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 269.5 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C13H16FNO4
Molecular Weight: 269.27
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 142186-36-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-N-BOC-4-Fluorophenylglycine - Not listed by ACGIH, IARC, or NTP.
SECTION 12 - ECOLOGICAL INFORMATION
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 142186-36-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 142186-36-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 142186-36-5 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 1/16/2002 Revision #2 Date: 10/05/2004 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Safety Phrases S24/25
HS Code 2922509090

 Synthetic Route

~97%

(s)-n-boc-4-fluorophenylglycine Structure

(s)-n-boc-4-flu...

CAS#:142186-36-5

Literature: Bayer HealthCare AG Patent: EP1187812 B1, 2005 ; Location in patent: Page/Page column 27 ; EP 1187812 B1

~95%

(s)-n-boc-4-fluorophenylglycine Structure

(s)-n-boc-4-flu...

CAS#:142186-36-5

Literature: Arosio, Dario; Caligiuri, Antonio; D'Arrigo, Paola; Pedrocchi-Fantoni, Giuseppe; Rossi, Cristina; Saraceno, Caterina; Servi, Stefano; Tessaro, Davide Advanced Synthesis and Catalysis, 2007 , vol. 349, # 8-9 p. 1345 - 1348

~%

(s)-n-boc-4-fluorophenylglycine Structure

(s)-n-boc-4-flu...

CAS#:142186-36-5

Literature: Tetrahedron Letters, , vol. 38, # 37 p. 6505 - 6508

~%

(s)-n-boc-4-fluorophenylglycine Structure

(s)-n-boc-4-flu...

CAS#:142186-36-5

Literature: Tetrahedron, , vol. 57, # 15 p. 2965 - 2972

~%

(s)-n-boc-4-fluorophenylglycine Structure

(s)-n-boc-4-flu...

CAS#:142186-36-5

Literature: Tetrahedron, , vol. 57, # 15 p. 2965 - 2972

~%

(s)-n-boc-4-fluorophenylglycine Structure

(s)-n-boc-4-flu...

CAS#:142186-36-5

Literature: Tetrahedron, , vol. 57, # 15 p. 2965 - 2972

 Customs

HS Code 2922509090
Summary 2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

(S)-N-BOC-4-Fluorophenylglycine
Benzeneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (αS)-
(2S)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)ethanoic acid
N-(tert-butyloxycarbonyl)-4-fluorophenylglycine
(2S)-[(tert-butoxycarbonyl)amino](4-fluorophenyl)acetic acid
BOC-4-FLUORO-L-PHENYLGLYCINE
(2S)-(4-Fluorophenyl)({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid
(S)-2-((tert-Butoxycarbonyl)amino)-2-(4-fluorophenyl)acetic acid
MFCD01320862
(S)-N-(tert-butoxycarbonyl)-(4-fluorophenyl)glycine