Carbamic acid, propyl-, phenyl ester

Base Information

• Chemical Name: Carbamic acid, propyl-, phenyl ester
• CAS No.: 14549-38-3
• Molecular Formula: C10H13 N O2
• Molecular Weight: 179.219
• DSSTox Substance ID: DTXSID10163059
• Nikkaji Number: J1.974.567H
• Wikidata: Q83031903
• Mol file: 14549-38-3.mol

Synonyms:Carbamic acid, propyl-, phenyl ester;14549-38-3;AI3-33110;Phenyl N-propylcarbamate;Phenyl-propyl-carbamat;SCHEMBL1895641;DTXSID10163059;HFDCINMIQCHNKW-UHFFFAOYSA-N;AKOS008934363

Chemical Property of Carbamic acid, propyl-, phenyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNC(=O)OC1=CC=CC=C1

Technology Process of Carbamic acid, propyl-, phenyl ester

There total 5 articles about Carbamic acid, propyl-, phenyl ester 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: 98.0%

propylamine (107-10-8,42939-71-9) + phenyl chloroformate (1885-14-9) → phenyl N-(n-propyl)carbamate (14549-38-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In chloroform; for 8h; Flow reactor; Large scale;

DOI:10.1055/a-1664-2282

Reference yield: 52.0%

butyric acid (107-92-6) + phenol (108-95-2,27073-41-2) → phenyl N-(n-propyl)carbamate (14549-38-3)

Guidance literature:

With polymer-supported diphenylphosphoryl azide; triethylamine; In benzene; for 24h; Heating;

DOI:10.1016/j.tetlet.2003.10.066

Reference yield:

propylamine (107-10-8,42939-71-9) + phenyl O‐(4‐nitrophenyl) carbonate (17175-11-0) → phenyl N-(n-propyl)carbamate (14549-38-3) + p-nitrophenolate (14609-74-6)

Guidance literature:

With dimethyl sulfoxide; In water; acetonitrile; at 25 ℃; Kinetics;

DOI:10.1021/jo052417z

upstream raw materials:

Propyl isocyanate

phenol

butyric acid

propylamine

Downstream raw materials:

5-benzyl-3-propylimidazolidine-2,4-dione

4-bromo-N-(propylcarbamoyl)benzenesulfonamide

chlorpropamide

4-methyl-N-( propylcarbamoyl)benzenesulfonamide

Refernces

• 1、 Hron, Rebecca,Jursic, Branko S.. "Preparation of substituted semicarbazides from corresponding amines and hydrazines via phenyl carbamates". supporting information. p. 1540 - 1543. Retrieved 2014/03/21.
• 2、 -. "Nitrogen-containing aromatic derivatives". . . Retrieved 2008/06/13.