2-chloro-N-isopropylbenzamide

Base Information

Chemical Name:2-chloro-N-isopropylbenzamide
CAS No.:6291-28-7
Molecular Formula:C10H12ClNO
Molecular Weight:197.664
Hs Code.:
NSC Number:4451
DSSTox Substance ID:DTXSID30978703
Nikkaji Number:J2.378.674E
Wikidata:Q82964154
Mol file:6291-28-7.mol

Synonyms:2-chloro-N-isopropylbenzamide;2-chloro-N-propan-2-ylbenzamide;6291-28-7;2-chloro-N-(propan-2-yl)benzamide;NSC4451;starbld0029704;N-Isopropyl-2-chlorobenzamide;SCHEMBL5451054;DTXSID30978703;NSC-4451;MFCD01212978;STL071227;AKOS000500157;Benzamide,2-chloro-N-(1-methylethyl)-;NCGC00325822-01;10.14272/KZCIDWXYXMLKBQ-UHFFFAOYSA-N;AB01320574-02;AN-329/10794020;doi:10.14272/KZCIDWXYXMLKBQ-UHFFFAOYSA-N;2-Chloro-N-(propan-2-yl)benzene-1-carboximidic acid;Z31385771

Suppliers and Price of 2-chloro-N-isopropylbenzamide

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

Aronis compounds
2-chloro-N-isopropylbenzamide
20mg
$ 30.00

American Custom Chemicals Corporation
N-ISOPROPYL-2-CHLOROBENZAMIDE 95.00%
5MG
$ 503.67

Total 6 raw suppliers

Chemical Property of 2-chloro-N-isopropylbenzamide

Chemical Property:

Vapor Pressure:0.000418mmHg at 25°C
Boiling Point:316.2°Cat760mmHg
Flash Point:145°C
PSA：29.10000
Density:1.128g/cm³
LogP:2.86910
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:197.0607417
Heavy Atom Count:13
Complexity:182

Purity/Quality:: 2-chloro-N-isopropylbenzamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)NC(=O)C1=CC=CC=C1Cl

Technology Process of 2-chloro-N-isopropylbenzamide

There total 6 articles about 2-chloro-N-isopropylbenzamide 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: 97.0%

: 609-65-4
o-chlorobenzoyl chloride

: 75-31-0
isopropylamine

: 6291-28-7
3-chlorobenzoic acid isopropylamide

Guidance literature:: With triethylamine; In dichloromethane; at 0 - 20 ℃; for 6h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.9b01257

Reference yield: 89.0%

: 70657-63-5
N,N-diisopropyl 2-chlorobenzamide

: 6291-28-7
3-chlorobenzoic acid isopropylamide

: 118-91-2
ortho-chlorobenzoic acid

Guidance literature:: With hydrogenchloride; zinc(II) chloride; at 160 ℃; for 72h;
DOI:10.1002/(sici)1099-0690(199808)1998:8<1689::aid-ejoc1689>3.0.co;2-m

Reference yield: 83.0%

: 16741-46-1
N-isopropylformamide

: 118-91-2
ortho-chlorobenzoic acid

: 6291-28-7
3-chlorobenzoic acid isopropylamide

Guidance literature:: With tert.-butylhydroperoxide; [Cu(1,3-bis(carboxymethyl)imidazole)₂]; In water; at 100 ℃; for 1.66667h;
DOI:10.1002/ejoc.201600991