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CAS

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78888-18-3

TERT-BUTYL N-ALLYLCARBAMATE is a white solid crystalline compound that serves as an important intermediate in the synthesis of various organic compounds, particularly in the production of isoxazolidines and 5-substituted thiazolidin-2-ones.

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  • 78888-18-3 Structure

  • Basic information

    1. Product Name: TERT-BUTYL N-ALLYLCARBAMATE
    2. Synonyms: ALLYL-CARBAMIC ACID TERT-BUTYL ESTER;TERT-BUTYL N-ALLYLCARBAMATE;N-ALLYL-T-BUTYLCARBAMATE;Carbamic acid, 2-propenyl-, 1,1-dimethylethyl ester (9CI);3-(tert-Butoxycarbonylamino)-1-propene;N-(tert-Butyloxycarbonyl)-2-propene-1-amine;N-Allylcarbamic acid tert-butyl ester;tert-Butoxycarbonylallylamine
    3. CAS NO:78888-18-3
    4. Molecular Formula: C8H15NO2
    5. Molecular Weight: 157.21
    6. EINECS: N/A
    7. Product Categories: N-BOC;Allyl Monomers;Monomers;Polymer Science
    8. Mol File: 78888-18-3.mol

  • Chemical Properties

    1. Melting Point: 36-38 °C(lit.)
    2. Boiling Point: 48-50°C/0.3mm
    3. Flash Point: 175 °F
    4. Appearance: Colorless/Low Melting Solid
    5. Density: 0.938 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.128mmHg at 25°C
    7. Refractive Index: 1.4720 (estimate)
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: 12.60±0.46(Predicted)
    11. Water Solubility: Insoluble in water. Soluble in methanol.
    12. CAS DataBase Reference: TERT-BUTYL N-ALLYLCARBAMATE(CAS DataBase Reference)
    13. NIST Chemistry Reference: TERT-BUTYL N-ALLYLCARBAMATE(78888-18-3)
    14. EPA Substance Registry System: TERT-BUTYL N-ALLYLCARBAMATE(78888-18-3)

  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 22-36/37/38
    3. Safety Statements: 22-26-36/37/39
    4. RIDADR: UN 1325 4.1/PG 2
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 78888-18-3(Hazardous Substances Data)

78888-18-3 Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL N-ALLYLCARBAMATE is used as a synthetic intermediate for the production of isoxazolidines, which are a class of compounds with potential applications in the development of pharmaceuticals, including antibiotics and other therapeutic agents.
Used in Organic Chemistry:
TERT-BUTYL N-ALLYLCARBAMATE is used as a reagent in the synthesis of 5-substituted thiazolidin-2-ones, which are valuable compounds in organic chemistry with potential applications in various fields, such as the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 78888-18-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,8,8 and 8 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 78888-18:
(7*7)+(6*8)+(5*8)+(4*8)+(3*8)+(2*1)+(1*8)=203
203 % 10 = 3
So 78888-18-3 is a valid CAS Registry Number.
InChI:InChI=1/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)

78888-18-3 Well-known Company Product Price

  • Brand
  • (Code)Product description
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  • Alfa Aesar

  • (H26014)  tert-Butyl N-allylcarbamate, 97%   

  • 78888-18-3

  • 10g

  • 613.0CNY

  • Detail

  • Alfa Aesar

  • (H26014)  tert-Butyl N-allylcarbamate, 97%   

  • 78888-18-3

  • 50g

  • 2024.0CNY

  • Detail

  • Alfa Aesar

  • (H26014)  tert-Butyl N-allylcarbamate, 97%   

  • 78888-18-3

  • 10g

  • 613.0CNY

  • Detail

  • Alfa Aesar

  • (H26014)  tert-Butyl N-allylcarbamate, 97%   

  • 78888-18-3

  • 50g

  • 2024.0CNY

  • Detail

  • Alfa Aesar

  • (H26014)  tert-Butyl N-allylcarbamate, 97%   

  • 78888-18-3

  • 10g

  • 613.0CNY

  • Detail

  • Alfa Aesar

  • (H26014)  tert-Butyl N-allylcarbamate, 97%   

  • 78888-18-3

  • 50g

  • 2024.0CNY

  • Detail

  • Alfa Aesar

  • (H26014)  tert-Butyl N-allylcarbamate, 97%   

  • 78888-18-3

  • 10g

  • 613.0CNY

  • Detail

  • Alfa Aesar

  • (H26014)  tert-Butyl N-allylcarbamate, 97%   

  • 78888-18-3

  • 50g

  • 2024.0CNY

  • Detail

  • Aldrich

  • (422339)  tert-ButylN-allylcarbamate  98%

  • 78888-18-3

  • 422339-10G

  • 830.70CNY

  • Detail

  • Aldrich

  • (422339)  tert-ButylN-allylcarbamate  98%

  • 78888-18-3

  • 422339-50G

  • 2,889.90CNY

  • Detail

78888-18-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-Butyl allylcarbamate

1.2 Other means of identification

Product number -
Other names TERT-BUTYL N-ALLYLCARBAMATE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:78888-18-3 SDS

78888-18-3Relevant articles and documents

Phenyl, trihalomethyl or heteroaryl sulfoxides having a latent allyl group bound to sulfur as enzyme inhibitors

-

, (2008/06/13)

Organic sulfoxides having a latent allyl group bound to the sulfur are enzyme inhibitors of the suicide or Kcat type.

Allylsulfoxide enzyme inhibitors

-

, (2008/06/13)

Organic sulfoxides having a latent allyl group bound to the sulfur are enzyme inhibitors of the suicide or Kcat type.

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