1-Methylpropyl carbamate

Base Information

• Chemical Name: 1-Methylpropyl carbamate
• CAS No.: 2114-15-0
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• Hs Code.: 2924199090
• NSC Number: 84177
• DSSTox Substance ID: DTXSID601019315
• Nikkaji Number: J520.852A
• Mol file: 2114-15-0.mol

Synonyms:1-Methylpropyl carbamate;2114-15-0;sec-butyl carbamate;Carbamic acid, 1-methylpropyl ester;butan-2-yl carbamate;s-butylcarbamate;SCHEMBL473155;DTXSID601019315;NSC84177;NSC 84177;NSC-84177;AKOS006339197

Chemical Property of 1-Methylpropyl carbamate

Chemical Property:

• Vapor Pressure: 0.253mmHg at 25°C
• Boiling Point: 205.2°Cat760mmHg
• Flash Point: 91.8°C
• PSA: 52.32000
• Density: 0.987g/cm³
• LogP: 1.58050
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 82.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OC(=O)N

Technology Process of 1-Methylpropyl carbamate

There total 6 articles about 1-Methylpropyl 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: 88.0%

urea (57-13-6) + iso-butanol (78-92-2,15892-23-6) → isobutyl carbamate (2114-15-0)

Guidance literature:

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

DOI:10.1002/ejoc.201800581

Reference yield: 76.0%

potassium cyanate (590-28-3) + iso-butanol (78-92-2,15892-23-6) → isobutyl carbamate (2114-15-0)

Guidance literature:

With para-dodecylbenzenesulfonic acid; In neat (no solvent); at 60 ℃; for 0.5h; Green chemistry;

DOI:10.1039/c5ra14528g

Reference yield:

urethane (51-79-6) + iso-butanol (78-92-2,15892-23-6) → isobutyl carbamate (2114-15-0)

Guidance literature:

With sulfuric acid; at 110 ℃;

DOI:10.1021/jo50018a002

upstream raw materials:

urethane

iso-butanol

cyanic acid

uronium nitrate

Downstream raw materials:

ethyl 2-chloro-4-trifluoromethyl-5-oxazolecarboxylate

phenylcarbamic acid sec-butyl ester

Refernces

• 1、 Sardarian, Ali Reza,Dindarloo Inaloo, Iman,Zangiabadi, Milad. "An Fe3O4@SiO2/Schiff base/Cu(ii) complex as an efficient recyclable magnetic nanocatalyst for selective mono: N-arylation of primary O-alkyl thiocarbamates and primary O-alkyl carbamates with aryl halides and arylboronic acids". . p. 8557 - 8565. Retrieved 2019/06/14.
• 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.