2-Formylbenzoyl chloride

Base Information

• Chemical Name: 2-Formylbenzoyl chloride
• CAS No.: 117886-88-1
• Molecular Formula: C8H5 Cl O2
• Molecular Weight: 168.579
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID30594088
• Wikidata: Q82488815
• Mol file: 117886-88-1.mol

Synonyms:2-formylbenzoyl chloride;117886-88-1;Benzoyl chloride, 2-formyl- (9CI);Benzoyl chloride, 2-formyl-;SCHEMBL7536432;DTXSID30594088;MFCD13173767;DB-285997

Chemical Property of 2-Formylbenzoyl chloride

Chemical Property:

• PSA: 34.14000
• LogP: 1.87810
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 167.9978071
• Heavy Atom Count: 11
• Complexity: 168

Purity/Quality:

99%min. ^*data from raw suppliers

2-FormylbenzoylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=O)C(=O)Cl

Technology Process of 2-Formylbenzoyl chloride

There total 2 articles about 2-Formylbenzoyl 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%

o-carboxybenzaldehyde (119-67-5) → 2-formyl benzoyl chloride (117886-88-1)

Guidance literature:

With thionyl chloride; In benzene; for 1h; Heating;

DOI:10.1021/jm9810654

Reference yield:

→ 2-formyl benzoyl chloride (117886-88-1)

Guidance literature:

Reference yield: 87.0%

2-formyl benzoyl chloride (117886-88-1) + 6,7-Dimethoxy-N2-methyl-N2-(6-methylamino-hexyl)-quinazoline-2,4-diamine (217973-01-8) → N-<6-<(4-amino-6,7-dimethoxyquinazolin-2-yl)methylamino>hexyl>-2-formyl-N-methylbenzamide (217973-35-8)

Guidance literature:

With triethylamine; In 1,4-dioxane; for 24h; Ambient temperature;

DOI:10.1021/jm9810654

upstream raw materials:

o-carboxybenzaldehyde

Downstream raw materials:

2-formyl-N,N-diethyl-1-benzamide

2-Formyl-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester

N-<6-<(4-amino-6,7-dimethoxyquinazolin-2-yl)methylamino>hexyl>-2-formyl-N-methylbenzamide

2-benzyl-3-hydroxy-2,3-dihydro-isoindol-1-one

Refernces

• 1、 Velusamy, Nithya,Thirumalaivasan, Natesan,Bobba, Kondapa Naidu,Wu, Shu-Pao,Bhuniya, Sankarprasad. "A hydrogen sulfide triggered self-immolative fluorescent probe for lysosome labeling in live cells". . p. 1590 - 1594. Retrieved 2018.
• 2、 Varga, Valentina,Milen, Mátyás,ábrányi-Balogh, Péter. "Propylphosphonic anhydride (T3P) mediated synthesis of 3-oxoisoindoline-1-carboxamides from 2-formylbenzoic acid, amines, and isocyanides. Preparation of isoindolinone alkaloids". supporting information. p. 3683 - 3689. Retrieved 2018/09/12.