Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate

Modify Date: 2024-01-02 17:53:36

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate Structure
Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate structure
Common Name Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate
CAS Number 39945-51-2 Molecular Weight 249.306
Density 1.2±0.1 g/cm3 Boiling Point 396.4±25.0 °C at 760 mmHg
Molecular Formula C14H19NO3 Melting Point 59-60℃
MSDS N/A Flash Point 193.5±23.2 °C

 Names

Name Benzyl 3-(hydroxymethyl)piperidine-1-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 396.4±25.0 °C at 760 mmHg
Melting Point 59-60℃
Molecular Formula C14H19NO3
Molecular Weight 249.306
Flash Point 193.5±23.2 °C
Exact Mass 249.136490
PSA 49.77000
LogP 1.46
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.550
Storage condition 2-8°C

 MSDS

Name: Benzyl 3-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 39945-51-2
Section 1 - Chemical Product MSDS Name:Benzyl 3-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
39945-51-2 Benzyl 3-(hydroxymethyl)tetrahydro-1(2 97% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 39945-51-2: Personal Protective Equipment Eyes: Not available.
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: Oil
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H19NO3
Molecular Weight: 249.31

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides, halogenated agents, halogens.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 39945-51-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzyl 3-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 39945-51-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39945-51-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39945-51-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases 26-36/37/39
HS Code 2933399090

 Synthetic Route

~65%

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate Structure

Benzyl 3-(hydro...

CAS#:39945-51-2

Literature: Aquila, Brian M.; Bannister, Thomas D.; Cuny, Gregory C.; Hauske, James R.; Heffernan, Michele L.R.; Hoemann, Michael Z.; Kessler, Donald W.; Shao, Liming; Wu, Xinhe; Xie, Roger L. Patent: US2002/177721 A1, 2002 ;

~86%

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate Structure

Benzyl 3-(hydro...

CAS#:39945-51-2

Literature: Fushiya, Shinji; Kanazawa, Toshiyuki; Nozoe, Shigeo Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 11 p. 2089 - 2094

~%

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate Structure

Benzyl 3-(hydro...

CAS#:39945-51-2

Literature: Merck and Co., Inc. Patent: US6329380 B1, 2001 ; US 6329380 B1

~%

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate Structure

Benzyl 3-(hydro...

CAS#:39945-51-2

Literature: Kalypsys, Inc Patent: US8080566 B1, 2011 ;

~%

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate Structure

Benzyl 3-(hydro...

CAS#:39945-51-2

Literature: Kalypsys, Inc Patent: US8080566 B1, 2011 ;

~94%

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate Structure

Benzyl 3-(hydro...

CAS#:39945-51-2

Literature: Dou, Dengfeng; Tiew, Kok-Chuan; He, Guijia; Mandadapu, Sivakoteswara Rao; Aravapalli, Sridhar; Alliston, Kevin R.; Kim, Yunjeong; Chang, Kyeong-Ok; Groutas, William C. Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 20 p. 5975 - 5983

~92%

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate Structure

Benzyl 3-(hydro...

CAS#:39945-51-2

Literature: Kalypsys, Inc Patent: US8080566 B1, 2011 ; Location in patent: Page/Page column 44 ;

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1-Piperidinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester
1-Benzyloxycarbonyl-3-piperidinemethanol
N-Cbz-(3-hydroxymethyl)piperidine
Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate
benzyl 3-(hydroxymethyl)piperidine-1-carboxylate
MFCD03407298