3-Cyanobenzoyl chloride

Base Information

• Chemical Name: 3-Cyanobenzoyl chloride
• CAS No.: 1711-11-1
• Molecular Formula: C8H4ClNO
• Molecular Weight: 165.579
• Hs Code.: 29269090
• Mol file: 1711-11-1.mol

Synonyms:3-Cyanobenzoylchloride;Benzoyl chloride, 3-cyano-;

Chemical Property of 3-Cyanobenzoyl chloride

Chemical Property:

• Appearance/Colour: white to pale yellow crystalline mass or light
• Vapor Pressure: 0.0101mmHg at 25°C
• Melting Point: 38-44 °C(lit.)
• Refractive Index: 1.567
• Boiling Point: 263.706 °C at 760 mmHg
• Flash Point: 113.286 °C
• PSA: 40.86000
• Density: 1.324 g/cm³
• LogP: 1.93728
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-Cyanobenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20/21/22-34-20/21/22/34
• Safety Statements: 26-27-28-36/37/39-45-26/36/37/39/45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3-Cyanobenzoyl chloride was used in preparation of 3-cyanobenzoyl-glycine methyl ester and 6A,6D-bis[3-(aminomethyl)benzoyl-glycyl-amino]-6A,6D-dideoxy-β-cyclodextrin.

Technology Process of 3-Cyanobenzoyl chloride

There total 7 articles about 3-Cyanobenzoyl 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: 99.0%

phosgene trimer + 3-Cyanobenzoic acid (1877-72-1) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 3-cyanobenzoyl chloride (1711-11-1)

Guidance literature:

With pyridine;

Reference yield: 96.0%

3-Cyanobenzoic acid (1877-72-1) → 4-cyanobenzoyl chlorIde (6068-72-0) + 3-cyanobenzoyl chloride (1711-11-1)

Guidance literature:

Reference yield: 93.6%

3-Cyanobenzoic acid (1877-72-1) → 3-cyanobenzoyl chloride (1711-11-1)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; toluene; at 80 ℃; for 1.5h;

upstream raw materials:

3-Cyanobenzoic acid

1,2-dichloro-ethane

oxalyl dichloride

3-Cyanobenzaldehyde

Downstream raw materials:

3-(benzo[d]thiazol-2-yl)benzonitrile

m-cyanovalerophenone

3-(3-Cyanbenzamido)-propionitril

3-<3-(3-Cyanbenzamido)-benzamido>-propionitril

Refernces

• 1、 Berger, Martin,Kaiser, Daniel,Maulide, Nuno,Spie?, Philipp. "Direct Synthesis of Enamides via Electrophilic Activation of Amides". supporting information. p. 10524 - 10529. Retrieved 2021/07/28.
• 2、 Nikitas, Nikolaos F.,Apostolopoulou, Mary K.,Skolia, Elpida,Tsoukaki, Anna,Kokotos, Christoforos G.. "Photochemical Activation of Aromatic Aldehydes: Synthesis of Amides, Hydroxamic Acids and Esters". supporting information. p. 7915 - 7922. Retrieved 2021/05/03.