N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide)

Base Information

• Chemical Name: N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide)
• CAS No.: 41131-65-1
• Molecular Formula: C15H17ClN2O4
• Molecular Weight: 324.764
• Hs Code.: 2924299090
• European Community (EC) Number: 255-235-3
• UNII: 4FW4NKO36N
• DSSTox Substance ID: DTXSID50194069
• Nikkaji Number: J28.813F
• Wikidata: Q27259538
• Mol file: 41131-65-1.mol

Synonyms:41131-65-1;N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide);N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide);N-[5-chloro-2-methyl-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide;C15H17ClN2O4;EINECS 255-235-3;UNII-4FW4NKO36N;4FW4NKO36N;N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis[3-oxobutyramide];EC 255-235-3;Butanamide, N,N'-(2-chloro-5-methyl-1,4-phenylene)bis[3-oxo-;Butanamide, N,N'-(2-chloro-5-methyl-1,4-phenylene)bis(3-oxo-;1,4-Bis(acetoacetamido)-2-chloro-5-methylbenzene;2-Methyl-5-chloro-1,4-bis(acetoacetylamino)benzene;SCHEMBL2912069;DTXSID50194069;AKOS015907974;A825448;diacetoacet-2-chloro-5-methyl-1,4-phenylenediamide;W-110946;1,4-Bis(3-oxobutyrylamino)-2-chloro-5-methylbenzene;Q27259538;1,4-BIS(ACETOACETAMIDO)-5-CHLORO-2-METHYLBENZENE;1,4-BIS(ACETOACETYLAMINO)-2-CHLORO-5-METHYLBENZENE;ACETOACETAMIDE, N,N'-(2-CHLORO-5-METHYL-P-PHENYLENE)BIS-

Chemical Property of N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide)

Chemical Property:

• Appearance/Colour: Off-white to brownish powder
• Boiling Point: 558.6 °C at 760 mmHg
• Flash Point: 291.6 °C
• PSA: 92.34000
• Density: 1.33 g/cm³
• LogP: 2.62960
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 324.0876847
• Heavy Atom Count: 22
• Complexity: 467

Purity/Quality:

99% ^*data from raw suppliers

N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutanamide) 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1NC(=O)CC(=O)C)Cl)NC(=O)CC(=O)C
• Uses: N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide) is used as intermediate for the manufacture of organic pigments on the base of bisacetacetic acid Arylides. Product Data Sheet

Technology Process of N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide)

There total 1 articles about N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide) 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:

→ 2-chloro-5-methylbisacetoacetanilide (41131-65-1)

Guidance literature:

entspr.Diamin, Diketen;

Reference yield:

3-amino-4-chloro-benzoic acid (2840-28-0) + 2-chloro-5-methylbisacetoacetanilide (41131-65-1) → C29H23Cl3N6O8

Guidance literature:

3-amino-4-chloro-benzoic acid; With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; at 0 - 5 ℃; for 0.5h;

2-chloro-5-methylbisacetoacetanilide; With pyridine; In methanol; at 20 ℃; for 1h;

Reference yield:

2-chloro-5-methylbisacetoacetanilide (41131-65-1) → C55H37Cl5F6N8O8

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide; hydrogenchloride; sodium nitrite / water / 0.5 h / 0 - 5 °C

1.2: sodium methylene dinaphthalene sulfonate / 1 h / 20 °C

2.1: thionyl chloride; N,N-dimethyl-formamide / 1,2-dichloro-benzene / 2 h / Reflux

3.1: pyridine / 1,2-dichloro-benzene / 2 h / 140 °C

With pyridine; hydrogenchloride; thionyl chloride; N,N-dimethyl-formamide; sodium hydroxide; sodium nitrite; In water; 1,2-dichloro-benzene;