2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide

Base Information

Chemical Name:2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide
CAS No.:333389-44-9
Molecular Formula:C8H14ClNO2
Molecular Weight:191.65500
Hs Code.:2924199090
DSSTox Substance ID:DTXSID20514199
Wikidata:Q82374380
Mol file:333389-44-9.mol

Synonyms:2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide;333389-44-9;N-chloroacetyl-1-amino-3,3-dimethyl-2-butanone;SCHEMBL3467454;DTXSID20514199;WWHZELYGAZRGKC-UHFFFAOYSA-N;AB6817;MFCD12403812;CS-0365240

Suppliers and Price of 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide

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

Crysdot
2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide 95+%
1g
$ 416.00

Crysdot
2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide 95+%
5g
$ 1667.00

American Custom Chemicals Corporation
2-CHLORO-N-(3,3-DIMETHYL-2-OXOBUTYL)ACETAMIDE 95.00%
5MG
$ 500.28

Total 5 raw suppliers

Chemical Property of 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide

Chemical Property:

Melting Point:50-52 °C
Boiling Point:328.1±27.0 °C(Predicted)
PKA:12.69±0.46(Predicted)
PSA：49.66000
Density:1.094±0.06 g/cm3(Predicted)
LogP:1.79690
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:191.0713064
Heavy Atom Count:12
Complexity:184

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C(=O)CNC(=O)CCl

Technology Process of 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide

There total 4 articles about 2-Chloro-N-(3,3-dimethyl-2-oxobutyl)acetamide 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: 98.0%

: 79-04-9
chloroacetyl chloride

: 33119-72-1
1-amino-3,3-dimethylbutan-2-one hydrochloride

: 333389-44-9
α-N-2-(chloroacetylamino)pinacolone

Guidance literature:: With triethylamine; In dichloromethane; at -10 ℃; for 1h;
DOI:10.1021/jm0305568

Reference yield:

: 76779-98-1
1-azido-3,3-dimethyl-2-butanone

: 333389-44-9
α-N-2-(chloroacetylamino)pinacolone

Guidance literature:: Multi-step reaction with 2 steps

1: 28.0 g / aq. HCl; H₂ / Pd/C / methanol / 2 h / 1034.3 Torr

2: 98 percent / Et₃N / CH₂Cl₂ / 1 h / -10 °C

With hydrogenchloride; hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane;
DOI:10.1021/jm0305568

Reference yield:

: 5469-26-1
1-Bromopinacolon

: 333389-44-9
α-N-2-(chloroacetylamino)pinacolone

Guidance literature:: Multi-step reaction with 3 steps

1: NaN₃ / acetone / 20 °C

2: 28.0 g / aq. HCl; H₂ / Pd/C / methanol / 2 h / 1034.3 Torr

3: 98 percent / Et₃N / CH₂Cl₂ / 1 h / -10 °C

With hydrogenchloride; sodium azide; hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane; acetone;
DOI:10.1021/jm0305568