Allyl carbamate

Base Information

• Chemical Name: Allyl carbamate
• CAS No.: 2114-11-6
• Molecular Formula: C4H7NO2
• Molecular Weight: 101.105
• Hs Code.: 2924199090
• European Community (EC) Number: 218-309-6
• NSC Number: 63830,32609
• UNII: IMP2J1YJ2Y
• DSSTox Substance ID: DTXSID1051856
• Nikkaji Number: J3.700A
• Wikidata: Q27280799
• Mol file: 2114-11-6.mol

Synonyms:allyl carbamate

Chemical Property of Allyl carbamate

Chemical Property:

• Vapor Pressure: 0.218mmHg at 25°C
• Refractive Index: n20/D1.454
• Boiling Point: 208°Cat760mmHg
• Flash Point: 112.3°C
• PSA: 52.32000
• Density: 1.044g/cm³
• LogP: 0.96800
• Storage Temp.: ?20°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 79.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

Allyl carbamate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N
• Statements: 22-41-50
• Safety Statements: 26-39-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Carbamic Acid Esters
• Canonical SMILES: C=CCOC(=O)N

Technology Process of Allyl carbamate

There total 8 articles about Allyl carbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

Allyl chloroformate (2937-50-0) → allyl carbamate (2114-11-6)

Guidance literature:

With ammonia; In acetonitrile; at -40 ℃; for 0.25h;

DOI:10.1039/c7ob00536a

Reference yield: 87.0%

allyl alcohol (107-18-6) + urea (57-13-6) → allyl carbamate (2114-11-6)

Guidance literature:

With cholin chloride ZnCl₂; iron oxide; at 130 ℃; for 6h; Green chemistry;

DOI:10.1002/ejoc.201800581

Reference yield: 79.0%

sodium isocyanate (917-61-3) + allyl alcohol (107-18-6) → allyl carbamate (2114-11-6)

Guidance literature:

With perchloric acid on silica gel; at 20 ℃; for 0.75h;

DOI:10.1016/j.tet.2007.06.048

upstream raw materials:

phosgene

allyl alcohol

Allyl chloroformate

sodium isocyanate

Downstream raw materials:

C₁₈H₂₀N₂O₅

(5R,6S,E)-methyl 6-(allyloxycarbonylamino)-5-methyl-6-phenylhex-3-enoate

(5R,6S,E)-methyl 6-(allyloxycarbonylamino)-6-(3-methoxyphenyl)-5-methylhex-3-enoate

allyl (4-(trifluoromethyl)phenyl)carbamate

Refernces

• 1、 Kondasinghe, Thilini D.,Saraha, Hasina Y.,Odeesho, Samantha B.,Stockdill, Jennifer L.. "Direct palladium-mediated on-resin disulfide formation from Allocam protected peptides". . p. 2914 - 2918. Retrieved 2017.
• 2、 Inaloo, Iman Dindarloo,Majnooni, Sahar,Esmaeilpour, Mohsen. "Superparamagnetic Fe3O4 Nanoparticles in a Deep Eutectic Solvent: An Efficient and Recyclable Catalytic System for the Synthesis of Primary Carbamates and Monosubstituted Ureas". . p. 3481 - 3488. Retrieved 2018/07/29.