2-chloro-N,N-diisopropylacetamide

Base Information

• Chemical Name: 2-chloro-N,N-diisopropylacetamide
• CAS No.: 7403-66-9
• Molecular Formula: C8H16 Cl N O
• Molecular Weight: 177.674
• Hs Code.: 2924199090
• European Community (EC) Number: 823-263-0
• NSC Number: 54819,3358
• DSSTox Substance ID: DTXSID90224839
• Nikkaji Number: J265.572A
• Wikidata: Q83103582
• Mol file: 7403-66-9.mol

Synonyms:2-chloro-N,N-diisopropylacetamide;7403-66-9;2-chloro-N,N-diisopropyl-acetamide;N,N-Diisopropylchloroacetamide;2-chloro-N,N-di(propan-2-yl)acetamide;Acetamide, 2-chloro-N,N-diisopropyl-;2-chloro-N,N-bis(propan-2-yl)acetamide;N1,N1-diisopropyl-2-chloroacetamide;NSC3358;SCHEMBL2984291;DTXSID90224839;N-(Chloroacetyl) diisopropyllamine;NSC 3358;NSC-3358;NSC54819;MFCD00027372;NSC 54819;NSC-54819;AKOS001062274;DS-6713;Acetamide, 2-chloro-N,N-diisopropyl-,;CS-0221003;Acetamide, 2-chloro-N,N-bis(1-methylethyl)-;EN300-08119;Z56855794;F2190-0240

Chemical Property of 2-chloro-N,N-diisopropylacetamide

Chemical Property:

• Vapor Pressure: 0.0665mmHg at 25°C
• Melting Point: 48.5°C
• Refractive Index: 1.4619 (estimate)
• Boiling Point: 230.2°C at 760 mmHg
• PKA: -1.07±0.70(Predicted)
• Flash Point: 93°C
• PSA: 20.31000
• Density: 1.003g/cm³
• LogP: 1.87060
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 177.0920418
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

90%,98% ^*data from raw suppliers

2-chloro-N,N-di(propan-2-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(C(C)C)C(=O)CCl

Technology Process of 2-chloro-N,N-diisopropylacetamide

There total 3 articles about 2-chloro-N,N-diisopropylacetamide 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: 88.0%

diisopropylamine (108-18-9) + chloroacetyl chloride (79-04-9) → N,N-diisopropylchloroacetamide (7403-66-9)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1080/00397919809458707

Reference yield: 41.0%

→ N,N-diisopropylchloroacetamide (7403-66-9)

Guidance literature:

Reference yield:

→ chloroamide + N,N-diisopropylchloroacetamide (7403-66-9)

Guidance literature:

upstream raw materials:

diisopropylamine

chloroacetyl chloride

Downstream raw materials:

(+/-)-β-(2-chlorophenyl)-β-cyano-N,N-bis(1-methylethyl)-1-piperidinepentanamide

3-{(S)-3-Biphenyl-4-yl-2-[(diphenoxy-phosphorylmethyl)-amino]-propionylamino}-propionic acid (diisopropylcarbamoyl)-methyl ester

Benzoic acid (diisopropylcarbamoyl)-methyl ester

2-Acetoxy-benzoic acid (diisopropylcarbamoyl)-methyl ester