Allyl N-methylolcarbamate

Base Information

• Chemical Name: Allyl N-methylolcarbamate
• CAS No.: 24935-97-5
• Molecular Formula: C5H9 N O3
• Molecular Weight: 131.13
• Hs Code.: 2924199090
• UNII: 237W1BFW1W
• DSSTox Substance ID: DTXSID7067035
• Nikkaji Number: J422.148F
• Wikidata: Q27253729
• Mol file: 24935-97-5.mol

Synonyms:Allyl N-methylolcarbamate;24935-97-5;Allyl (hydroxymethyl)carbamate;prop-2-enyl N-(hydroxymethyl)carbamate;UNII-237W1BFW1W;allyl N-hydroxymethylcarbamate;237W1BFW1W;HSDB 6157;Carbamic acid, (hydroxymethyl)-, 2-propenyl ester;Carbamic acid, N-(hydroxymethyl)-, 2-propen-1-yl ester;n-methylolallylcarbamate;SCHEMBL248893;N-hydroxymethyl allyl carbamate;DTXSID7067035;AKOS006348153;ALLYL N-METHYLOLCARBAMATE [HSDB];Hydroxymethylcarbamic acid 2-propenyl ester;Q27253729

Chemical Property of Allyl N-methylolcarbamate

Chemical Property:

• Vapor Pressure: 0.0084mmHg at 25°C
• Boiling Point: 236.7°C at 760 mmHg
• PKA: 11.56±0.46(Predicted)
• Flash Point: 97°C
• PSA: 62.05000
• Density: 1.13g/cm³
• LogP: 0.05280
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 131.058243149
• Heavy Atom Count: 9
• Complexity: 102

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Allyl N-methylolcarbamate

There total 1 articles about Allyl N-methylolcarbamate 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: 68.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + allyl carbamate (2114-11-6) → allyl N-hydroxymethyl carbamate (24935-97-5)

Guidance literature:

With barium dihydroxide; at 60 ℃; for 1h;

DOI:10.1016/S0040-4020(99)00322-1

Reference yield: 90.0%

allyl N-hydroxymethyl carbamate (24935-97-5) + phenylmethanethiol (100-53-8) → N-benzylthiomethyl-carbamic acid allyl ester (160978-29-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 0.166667h;

DOI:10.1016/S0040-4020(99)00322-1

Reference yield: 30.0%

allyl N-hydroxymethyl carbamate (24935-97-5) + phenylmethanethiol (100-53-8) → bis(benzylthio)methane (4431-79-2)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 2h;

DOI:10.1016/S0040-4020(99)00322-1

upstream raw materials:

formaldehyd

allyl carbamate

Downstream raw materials:

N-benzylthiomethyl-carbamic acid allyl ester

bis(benzylthio)methane

N^α-tert-butoxycarbonyl-S-allyloxycarbonylaminomethyl-L-cysteine benzylamide

C₂₆H₂₇BrN₂O₇S

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