4-DIMETHYLAMINOBENZOYL CHLORIDE

Base Information

• Chemical Name: 4-DIMETHYLAMINOBENZOYL CHLORIDE
• CAS No.: 4755-50-4
• Molecular Formula: C9H10ClNO
• Molecular Weight: 183.637
• Hs Code.: 29224999
• European Community (EC) Number: 924-821-7,628-343-7
• DSSTox Substance ID: DTXSID30963871
• Nikkaji Number: J32.742E
• Wikidata: Q106902765
• Mol file: 4755-50-4.mol

Synonyms:Benzoylchloride, p-(dimethylamino)- (6CI,7CI,8CI);4-(Dimethylamino)benzoic acidchloride;4-(Dimethylamino)benzoyl chloride;4-(N,N-Dimethylamino)benzoylchloride;p-(Dimethylamino)benzoyl chloride;

Chemical Property of 4-DIMETHYLAMINOBENZOYL CHLORIDE

Chemical Property:

• Appearance/Colour: White to tan crystalline powder
• Vapor Pressure: 0.00412mmHg at 25°C
• Melting Point: 145-149 °C(lit.)
• Refractive Index: 1.574
• Boiling Point: 279 °C at 760 mmHg
• PKA: 0.98±0.12(Predicted)
• Flash Point: 122.5 °C
• PSA: 20.31000
• Density: 1.193 g/cm³
• LogP: 2.13160
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

98% ^*data from raw suppliers

4-(Dimethylamino)benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=O)Cl
• Uses: 4-Dimethylaminobenzoyl chloride is used to make other chemicals. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

Technology Process of 4-DIMETHYLAMINOBENZOYL CHLORIDE

There total 13 articles about 4-DIMETHYLAMINOBENZOYL 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: 100.0%

p-N,N-dimethylaminobenzoic acid (619-84-1) → 4-(dimethylamino)benzoyl chloride (4755-50-4)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere; Cooling with ice;

DOI:10.1021/jm2015809

Reference yield: 78.0%

→ 4-(dimethylamino)benzoyl chloride (4755-50-4) + p-N,N-dimethylaminobenzoic acid (619-84-1)

Guidance literature:

Reference yield:

oxalyl dichloride (79-37-8) + N,N-dimethyl-aniline (121-69-7,77733-26-7) → 4-(dimethylamino)benzoyl chloride (4755-50-4) + 4,4'-bis(dimethylamino)benzil (17078-27-2) + crystal violet (548-62-9)

Guidance literature:

je nach Reaktionsbedingungen;

upstream raw materials:

(4-dimethylamino-phenyl)-oxoacetyl chloride

p-N,N-dimethylaminobenzoic acid

phosgene

N,N-dimethyl-aniline

Downstream raw materials:

4,4'-bis-dimethylamino-2-methyl-benzophenone

4-dimethylamino-4'-phenyl-benzophenone

4-dimethylamino-benzoic acid-(3-dimethylamino-propyl ester)

dodecyl 4-(N,N-dimethylamino)benzoate

Refernces

• 1、 Forman, Jonathan E.,Barrans Jr., Richard E.,Dougherty, Dennis A.. "Circular dichroism studies of molecular recognition with cyclophane hosts in aqueous media". . p. 9213 - 9228. Retrieved 1995.
• 2、 Dale, Harvey J. A.,Nottingham, Chris,Poree, Carl,Lloyd-Jones, Guy C.. "Systematic Evaluation of 1,2-Migratory Aptitude in Alkylidene Carbenes". supporting information. p. 2097 - 2107. Retrieved 2021/02/01.
• 3、 Cheng, Maosheng,Liu, Nian,Lv, Ruicheng,Qin, Qiaohua,Sun, Yin,Sun, Yixiang,Wang, Ruifeng,Wang, Xiaoyan,Wu, Tianxiao,Yin, Wenbo,Zhang, Chu,Zhao, Dongmei. "Design, synthesis, biological evaluation and pharmacophore model analysis of novel tetrahydropyrrolo[3,4-c]pyrazol derivatives as potential TRKs inhibitors". . . Retrieved 2021/06/28.