30189-48-1

• 常用中文名：N-(叔丁氧羰基)-L-苯丙氨酸酰肼
• 常用英文名：L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-, hydrazide
• CAS号：30189-48-1
• 分子式：C₁₄H₂₁N₃O₃
• 分子量：279.33500
• 发布时间：2019-01-13 09:24:41
• 更新时间：2024-01-23 17:32:44

名称

• 中文名: N-(1-苄基-2-肼基-2-氧乙基)氨基甲酸叔丁酯
• 英文名: tert-butyl N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate
• 英文别名: Boc-Phe-NHNH2; (S)-tert-butyl (1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)carbamate; tert-butyl N-(1-benzyl-2-hydrazino-2-oxoethyl)carbamate; Boc-L-Phe hydrazide; N-(Boc)-L-phenylalanine hydrazide; Boc-L-PheNHNH2; <(S)-2-<(tert-Butyloxycarbonyl)amino>-3-phenylpropanoyl>hydrazine; tert-butyl (1S)-1-benzyl-2-hydrazino-2-oxoethylcarbamate; N-(tert-Butoxycarbonyl)-L-phenylalanine acid hydrazide

物化性质

• 密度: 1.146g/cm3
• 沸点: 505.3ºC at 760mmHg
• 熔点: 131-136ºC
• 分子式: C₁₄H₂₁N₃O₃
• 分子量: 279.33500
• 闪点: 259.4ºC
• 精确质量: 279.15800
• PSA: 93.45000
• LogP: 2.59440
• 折射率: 1.536
• 储存条件: -20°C，避光保存于惰性气体中
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:4

  4.可旋转化学键数量:6

  5.互变异构体数量:4

  6.拓扑分子极性表面积:93.4

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:333

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

MSDS

Name: tert-Butyl N-(1-benzyl-2-hydrazino-2-oxoethyl)carbamate 97% Material Safety Data Sheet Synonym: N-(tert-Butoxycarbonyl)-L-phenylalanine acid hydrazid CAS: 30189-48-1 Section 1 - Chemical Product MSDS Name:tert-Butyl N-(1-benzyl-2-hydrazino-2-oxoethyl)carbamate 97% Material Safety Data Sheet Synonym:N-(tert-Butoxycarbonyl)-L-phenylalanine acid hydrazid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 30189-48-1 tert-Butyl N-(1-benzyl-2-hydrazino-2-o 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes 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. 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. 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. 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: 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# 30189-48-1: 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 131 - 136 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: C14H21N3O3 Molecular Weight: 279 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, acids, acid chlorides. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 30189-48-1 unlisted. LD50/LC50: Not available. Carcinogenicity: tert-Butyl N-(1-benzyl-2-hydrazino-2-oxoethyl)carbamate - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 30189-48-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 30189-48-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 30189-48-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 海关编码: 2928000090

合成路线

51987-73-6 ~82% 30189-48-1

文献：Borg, Susanna; Estenne-Bouhtou, Genevieve; Luthman, Kristina; Csoeregh, Ingeborg; Hesselink, Willy; Hacksell, Uli Journal of Organic Chemistry, 1995 , vol. 60, # 10 p. 3112 - 3120

13734-34-4 ~70% 30189-48-1

文献：Matveeva; Kolesnikova; Zefirov Russian Chemical Bulletin, 2011 , vol. 60, # 2 p. 248 - 253

51987-73-6 7803-57-8 ~85% 30189-48-1

文献：Da Costa, Cristiane F.; Pinheiro, Alessandra C.; De Almeida, Mauro V.; Lourenco, Maria C.S.; De Souza, Marcus V.N. Chemical Biology and Drug Design, 2012 , vol. 79, # 2 p. 216 - 222

119153-87-6 ~% 30189-48-1

文献：Liu, Zhuqing; Myers, Michael C.; Shah, Parag P.; Beavers, Mary Pat; Benedetti, Phillip A.; Diamond, Scott L.; Smith, Amos B.; Huryn, Donna M. Combinatorial Chemistry and High Throughput Screening, 2010 , vol. 13, # 4 p. 337 - 351

63-91-2 ~% 30189-48-1

文献：Da Costa, Cristiane F.; Pinheiro, Alessandra C.; De Almeida, Mauro V.; Lourenco, Maria C.S.; De Souza, Marcus V.N. Chemical Biology and Drug Design, 2012 , vol. 79, # 2 p. 216 - 222

7524-50-7 ~% 30189-48-1

文献：Da Costa, Cristiane F.; Pinheiro, Alessandra C.; De Almeida, Mauro V.; Lourenco, Maria C.S.; De Souza, Marcus V.N. Chemical Biology and Drug Design, 2012 , vol. 79, # 2 p. 216 - 222

上下游产品

上游产品  5
51987-73-6 13734-34-4 7803-57-8 63-91-2
7524-50-7
下游产品  0

海关

海关编码	2928000090
中文概述	2928000090 其他肼（联氨）及胲（羟胺）的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%