2-(Acetylamino)-5-(1-methylethyl)benzoic acid

Base Information

Chemical Name:2-(Acetylamino)-5-(1-methylethyl)benzoic acid
CAS No.:79069-38-8
Molecular Formula:C12H15NO3
Molecular Weight:221.256
Hs Code.:
DSSTox Substance ID:DTXSID201253581

Synonyms:79069-38-8;2-(acetylamino)-5-(1-methylethyl)benzoic acid;SCHEMBL3987763;AXRIWZGQNFESSB-UHFFFAOYSA-N;DTXSID201253581;2-(acetylamino)-5-isopropylbenzoic acid;2-acetamido-5-(propan-2-yl)benzoic acid;EN300-28274050

Suppliers and Price of 2-(Acetylamino)-5-(1-methylethyl)benzoic acid

Supply Marketing:

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

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Chemical Property of 2-(Acetylamino)-5-(1-methylethyl)benzoic acid

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:221.10519334
Heavy Atom Count:16
Complexity:275

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=CC(=C(C=C1)NC(=O)C)C(=O)O

Technology Process of 2-(Acetylamino)-5-(1-methylethyl)benzoic acid

There total 4 articles about 2-(Acetylamino)-5-(1-methylethyl)benzoic acid 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: 78.0%

: 201230-82-2
carbon monoxide

: 68748-07-2
N-<2-bromo-4-(1-methylethyl)phenyl>acetamide

: 79069-38-8
2-(acetylamino)-5-(1-methylethyl)benzoic acid

Guidance literature:: With tributyl-amine; water; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; at 120 - 125 ℃; for 18h; under 2280 Torr;
DOI:10.1021/jo00335a075

Reference yield:

: 68748-07-2
N-<2-bromo-4-(1-methylethyl)phenyl>acetamide

: 79069-38-8
2-(acetylamino)-5-(1-methylethyl)benzoic acid

Guidance literature:: In N-methyl-acetamide; CO; water; triethylamine;

Reference yield:

: 51605-97-1
2-bromo-4-isopropylaniline

: 79069-38-8
2-(acetylamino)-5-(1-methylethyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane

2: triethylamine; XPhos / water; N,N-dimethyl-formamide

With triethylamine; XPhos; In dichloromethane; water; N,N-dimethyl-formamide;