Propyl N-phenylcarbamate

Base Information

• Chemical Name: Propyl N-phenylcarbamate
• CAS No.: 5532-90-1
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2924299090
• NSC Number: 28524
• DSSTox Substance ID: DTXSID70203884
• Nikkaji Number: J108.694D
• Wikidata: Q83077319
• Mol file: 5532-90-1.mol

Synonyms:PROPYL N-PHENYLCARBAMATE;Propyl phenylcarbamate;5532-90-1;Carbanilic acid, propyl ester;Propyl carbanilate;Propyl phenylurethane;Phenylcarbamic acid propyl ester;Carbamic acid, phenyl-, propyl ester;SCHEMBL3229905;Carbanilic acid, n-propyl ester;AMY4020;DTXSID70203884;QDZXCXBFZLLQFT-UHFFFAOYSA-N;NSC28524;NSC 28524;NSC-28524;AKOS002937288

Chemical Property of Propyl N-phenylcarbamate

Chemical Property:

• Vapor Pressure: 0.0774mmHg at 25°C
• Melting Point: 57.85°C
• Refractive Index: 1.5150 (estimate)
• Boiling Point: 227.5°Cat760mmHg
• PKA: 13.86±0.70(Predicted)
• Flash Point: 91.4°C
• PSA: 38.33000
• Density: 1.107g/cm³
• LogP: 2.71810
• XLogP3: 2.8
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)NC1=CC=CC=C1

Technology Process of Propyl N-phenylcarbamate

There total 37 articles about Propyl N-phenylcarbamate 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%

carbon dioxide (124-38-9,18923-20-1) + propyl bromide (106-94-5) + aniline (62-53-3) → n-propyl N-phenylcarbamate (5532-90-1)

Guidance literature:

With choline chloride * 2ZnCl₂; at 20 ℃; for 2h; under 760.051 Torr; Reagent/catalyst; Temperature; Green chemistry;

DOI:10.1039/c9nj02810b

Reference yield: 94.0%

iodobenzene (591-50-4) + 1-propyl carbamate (627-12-3) → n-propyl N-phenylcarbamate (5532-90-1)

Guidance literature:

With sodium t-butanolate; In toluene; at 100 ℃; for 2.5h; Reagent/catalyst; Temperature; Solvent;

DOI:10.1039/c6ra17268g

Reference yield: 92.0%

propan-1-ol (71-23-8) + iodobenzene (591-50-4) + carbon monoxide (201230-82-2) → n-propyl N-phenylcarbamate (5532-90-1)

Guidance literature:

With sodium azide; In 1,4-dioxane; at 60 ℃; for 12h; under 760.051 Torr;

DOI:10.1002/ejoc.201901140

upstream raw materials:

propan-1-ol

phenyl isocyanate

aniline

propoxycarbonyl chloride

Downstream raw materials:

phenyl isocyanate

propan-1-ol

Refernces

• 1、 Dindarloo Inaloo, Iman,Esmaeilpour, Mohsen,Majnooni, Sahar,Reza Oveisi, Ali. "Nickel-Catalyzed Synthesis of N-(Hetero)aryl Carbamates from Cyanate Salts and Phenols Activated with Cyanuric Chloride". . p. 5486 - 5491. Retrieved 2020/09/04.
• 2、 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.