Butyl N-phenylcarbamate

Base Information

• Chemical Name: Butyl N-phenylcarbamate
• CAS No.: 1538-74-5
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.246
• Hs Code.: 2924299090
• European Community (EC) Number: 633-865-3
• NSC Number: 29705
• DSSTox Substance ID: DTXSID60165422
• Nikkaji Number: J122.196E
• Wikidata: Q83034590
• Mol file: 1538-74-5.mol

Synonyms:BUTYL N-PHENYLCARBAMATE;1538-74-5;Butyl phenylcarbamate;Butyl carbanilate;Carbanilic acid, butyl ester;Phenylcarbamic acid butyl ester;Butylphenylurethane;Butyl N-phenylurethane;Carbamic acid, phenyl-, butyl ester;Butylphenylcarbamate;n-butyl phenylcarbamate;Butyl phenylcarbamate #;Carbanilic acid, n-butyl ester;SCHEMBL3765824;Phenyl-carbamic acid butyl ester;DTXSID60165422;ZTIMKJROOYMUMU-UHFFFAOYSA-N;NSC29705;NSC 29705;NSC-29705;AKOS002953314;SB76753

Chemical Property of Butyl N-phenylcarbamate

Chemical Property:

• Vapor Pressure: 0.0266mmHg at 25°C
• Boiling Point: 246.8°Cat760mmHg
• Flash Point: 103.1°C
• PSA: 38.33000
• Density: 1.083g/cm³
• LogP: 3.10820
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

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

BUTYL CARBANILATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Butyl N-phenylcarbamate

There total 57 articles about Butyl 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%

iodobenzene (591-50-4) + butyl carbamate (592-35-8) → N-phenyl-carbamic acid butyl ester (1538-74-5)

Guidance literature:

With sodium t-butanolate; In toluene; at 100 ℃; for 3h; chemoselective reaction;

DOI:10.1039/c9nj00028c

Reference yield: 84.0%

tetra(n-butoxy)silane (4766-57-8) + carbon dioxide (124-38-9,18923-20-1) + aniline (62-53-3) → N-phenyl-carbamic acid butyl ester (1538-74-5)

Guidance literature:

With 1,10-Phenanthroline; zinc diacetate; In acetonitrile; at 150 ℃; for 72h; under 37503.8 Torr; chemoselective reaction; Inert atmosphere; Autoclave; Green chemistry;

DOI:10.1002/cssc.201601878

Reference yield: 83.0%

carbon monoxide (201230-82-2) + aniline (62-53-3) + butan-1-ol (71-36-3) → N-phenyl-carbamic acid butyl ester (1538-74-5)

Guidance literature:

With selenium; oxygen; triethylamine; at 180 ℃; for 6h; under 15001.5 Torr; Autoclave;

DOI:10.1080/00397910903134626

upstream raw materials:

tetrabutyl titanate

aniline hydrochloride

diethyl ether

phenyl isocyanate

Downstream raw materials:

Chloromethyl-phenyl-carbamic acid butyl ester

phenyl isocyanate

butan-1-ol

Refernces

• 1、 Samuilov, A. Ya.,Samuilov, Ya. D.. "Noncatalytic and Autocatalytic Rate Constants of the Reaction of Phenyl Isocyanate with Butan-1-ol". . p. 1749 - 1753. Retrieved 2018.
• 2、 Otera, Junzo,Yano, Toru,Okawara, Rokuro. "MECHANISTIC INVESTIGATION OF DISTANNOXANE-CATALYZED URETHANE FORMATION STUDIED BY (119)Sn NMR SPECTRA". . p. 901 - 904. Retrieved 1985.
• 3、 Roy,Majumdar. "A practical organotin(IV) catalyst for urethan and polyurethan technology". . p. 333 - 340. Retrieved 1994.
• 4、 Okada,Inakura. "". . p. 91,97. Retrieved 1963.
• 5、 Sarkar, Priyanka,Chowdhury, Arpita Hazra,Riyajuddin, Sk.,Biswas, Surajit,Ghosh, Kaushik,Islam, Sk. Manirul. "Zn(ii)@TFP-DAQ COF: An efficient mesoporous catalyst for the synthesis of: N -methylated amine and carbamate through chemical fixation of CO2". . p. 744 - 752. Retrieved 2020/01/31.
• 6、 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.