Methyl 4-(butylcarbamoyl)benzoate

Base Information

Chemical Name:Methyl 4-(butylcarbamoyl)benzoate
CAS No.:100610-03-5
Molecular Formula:C13H17NO3
Molecular Weight:235.283
Hs Code.:2924299090
DSSTox Substance ID:DTXSID10589376
Nikkaji Number:J2.633.663E
Wikidata:Q82482711
Mol file:100610-03-5.mol

Synonyms:Methyl 4-(butylcarbamoyl)benzoate;100610-03-5;Methyl4-(butylcarbamoyl)benzoate;Benzoic acid, 4-[(butylamino)carbonyl]-, methyl ester;DTXSID10589376;MFCD09418666;AKOS003564159;SB76950;BS-19049;DB-360952;CS-0211438

Suppliers and Price of Methyl 4-(butylcarbamoyl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Methyl4-(butylcarbamoyl)benzoate
250mg
$ 55.00

Crysdot
Methyl4-(butylcarbamoyl)benzoate 95+%
25g
$ 452.00

American Custom Chemicals Corporation
METHYL-4-(BUTYLCARBAMOYL)BENZOATE 95.00%
5MG
$ 497.17

AK Scientific
Methyl4-(butylcarbamoyl)benzoate
1g
$ 131.00

Total 8 raw suppliers

Chemical Property of Methyl 4-(butylcarbamoyl)benzoate

Chemical Property:

PSA：55.40000
LogP:2.39400
Storage Temp.:2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:235.12084340
Heavy Atom Count:17
Complexity:257

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(butylcarbamoyl)benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCNC(=O)C1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-(butylcarbamoyl)benzoate

There total 4 articles about Methyl 4-(butylcarbamoyl)benzoate 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: 86.0%

: 109-73-9,85404-21-3
N-butylamine

: 1571-08-0
methyl 4-formylbenzoate

: 100610-03-5
methyl 4-(butylcarbamoyl)benzoate

Guidance literature:: With urea; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; palladium dichloride; In methanol; acetic acid; at 50 ℃; for 20h;
DOI:10.1016/j.tetlet.2008.07.075

Reference yield: 68.0%

: 1380243-02-6
methyl 4-(2-oxooxazolidine-3-carbonyl)benzoate

: 109-73-9,85404-21-3
N-butylamine

: 100610-03-5
methyl 4-(butylcarbamoyl)benzoate

Guidance literature:: With ytterbium(III) triflate; In acetonitrile; at 90 ℃; for 48h; Sealed tube; Inert atmosphere;
DOI:10.1021/acs.orglett.8b01896

Reference yield:

: 7377-26-6
4-Methoxycarbonylbenzoyl chloride

: 100610-03-5
methyl 4-(butylcarbamoyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.92 h / 0 - 20 °C

1.2: 20 °C

2.1: ytterbium(III) triflate / acetonitrile / 48 h / 90 °C / Sealed tube; Inert atmosphere

With sodium hydride; ytterbium(III) triflate; In tetrahydrofuran; acetonitrile; mineral oil;
DOI:10.1021/acs.orglett.8b01896