2-tert-Butylbenzoyl chloride

Base Information

Chemical Name:2-tert-Butylbenzoyl chloride
CAS No.:16372-51-3
Molecular Formula:C11H13 Cl O
Molecular Weight:196.677
Hs Code.:2916399090
European Community (EC) Number:847-628-9
DSSTox Substance ID:DTXSID80548910
Mol file:16372-51-3.mol

Synonyms:2-tert-Butylbenzoyl chloride;16372-51-3;2-TERT-BUTYLBENZOYLCHLORIDE;t-butyl benzoyl chloride;tert-butylbenzoyl chloride;tert.butylbenzoyl chloride;SCHEMBL2154401;DTXSID80548910;ZQOZLLNCVHPQMV-UHFFFAOYSA-N;MFCD09258867;AKOS006330482;EN300-7501016

Suppliers and Price of 2-tert-Butylbenzoyl chloride

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

Matrix Scientific
2-tert-Butylbenzoyl chloride 95%
1g
$ 727.00

Atlantic Research Chemicals
2-tert-Butylbenzoylchloride 95%
50mgs:
$ 106.04

American Custom Chemicals Corporation
2-TERT-BUTYLBENZOYL CHLORIDE 95.00%
5MG
$ 505.00

Total 5 raw suppliers

Chemical Property of 2-tert-Butylbenzoyl chloride

Chemical Property:

Boiling Point:262.7±19.0 °C(Predicted)
PSA：17.07000
Density:1.077±0.06 g/cm3(Predicted)
LogP:3.36310
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:196.0654927
Heavy Atom Count:13
Complexity:193

Purity/Quality:

99%, ^*data from raw suppliers

2-tert-Butylbenzoyl chloride 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=CC=C1C(=O)Cl

Technology Process of 2-tert-Butylbenzoyl chloride

There total 7 articles about 2-tert-Butylbenzoyl chloride 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:

: 79-37-8
oxalyl dichloride

: 1077-58-3
2-tert-butylbenzoic acid

: 16372-51-3
2-tert-butylbenzoyl chloride

Guidance literature:: With N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 1.16667h; Cooling with ice;

Reference yield:

: 1077-58-3
2-tert-butylbenzoic acid

: 16372-51-3
2-tert-butylbenzoyl chloride

Guidance literature:: With thionyl chloride;

Reference yield:

: 87306-63-6
2-<2-(1,1-dimethylethyl)phenyl>-4,4-dimethyl-2-oxazoline

: 16372-51-3
2-tert-butylbenzoyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1: 46 percent / CH₂Cl₂ / 1 h / 0 °C

2: 67 percent / 40percent aq. NaOH / tetrahydrofuran / 18 h / 80 °C

3: SOCl₂ / 3 h / Heating

With sodium hydroxide; thionyl chloride; In tetrahydrofuran; dichloromethane;
DOI:10.1021/ja00076a022