N-(4-Chlorophenyl)formamide

Base Information

• Chemical Name: N-(4-Chlorophenyl)formamide
• CAS No.: 2617-79-0
• Molecular Formula: C7H6 Cl N O
• Molecular Weight: 155.584
• Hs Code.: 2924299090
• European Community (EC) Number: 621-724-9
• NSC Number: 26266
• DSSTox Substance ID: DTXSID00180795
• Nikkaji Number: J363.060I
• Wikidata: Q83051407
• ChEMBL ID: CHEMBL3252143
• Mol file: 2617-79-0.mol

Synonyms:4-chloroformanilide;N-(4-chlorophenyl)formamide;N-(p-chlorophenyl)formamide;p-chloroformanilide

Chemical Property of N-(4-Chlorophenyl)formamide

Chemical Property:

• Vapor Pressure: 0.000453mmHg at 25°C
• Melting Point: 101-105 °C(lit.)
• Boiling Point: 314.9°Cat760mmHg
• PKA: 14.13±0.70(Predicted)
• Flash Point: 144.2°C
• PSA: 29.10000
• Density: 1.316g/cm³
• LogP: 2.61720
• Solubility.: soluble in Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-Chlorophenyl)formamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC=O)Cl

Technology Process of N-(4-Chlorophenyl)formamide

There total 88 articles about N-(4-Chlorophenyl)formamide 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: 65.0%

(4-chloro-benzoyl)-phosphonic acid diethyl ester (10570-46-4) → diethyl (p-chlorophenyl)carbamothioylphosphonate (27594-52-1) + N-(4-chlorophenyl)formamide (2617-79-0) + diethyl p-chlorobenzoylphosphoramidate (27594-54-3) + para-chlorobenzoic acid (74-11-3)

Guidance literature:

With tris-(2-chloro-ethyl)-amine; sulfuric acid; In chloroform; at 0 ℃; for 0.0833333h; Further byproducts given;

DOI:10.1021/ja00082a024

Reference yield: 65.0%

(4-chloro-benzoyl)-phosphonic acid diethyl ester (10570-46-4) → diethyl (p-chlorophenyl)carbamothioylphosphonate (27594-52-1) + N-(4-chlorophenyl)formamide (2617-79-0) + [(4-Chloro-phenyl)-(diethoxy-phosphoryloxy)-methyl]-phosphonic acid diethyl ester + para-chlorobenzoic acid (74-11-3)

Guidance literature:

With tris-(2-chloro-ethyl)-amine; sulfuric acid; In chloroform; at 0 ℃; for 0.0833333h; Further byproducts given;

DOI:10.1021/ja00082a024

Reference yield: 59.0%

4-chlorobenzonitrile (100-00-5) → N-(4-chlorophenyl)formamide (2617-79-0) + 4-chloro-aniline (106-47-8) + 4,4'-bis(chloro)azoxybenzene (614-26-6)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; hydrogen; sodium methylate; In tetrahydrofuran; at 60 ℃; under 760 Torr;

DOI:10.1021/ja00411a050

upstream raw materials:

N-chloro formanilide

formic acid

4-chloro-aniline

N,N-dichloro-p-toluenesulfonamide

Downstream raw materials:

p-chlorophenyl isocyanide

5-methyl-benzo[1,2,5]oxadiazole

2-(4-chloro-phenyl)-6-methyl-2H-benzotriazole-1-oxide

2-(4-Chlorphenyl)-5-methyl-2H-benzotriazol-1-oxid

Refernces

• 1、 Qiu, Jikuan,Zhao, Yuling,Li, Zhiyong,Wang, Huiyong,Shi, Yunlei,Wang, Jianji. "Imidazolium-Salt-Functionalized Covalent Organic Frameworks for Highly Efficient Catalysis of CO2 Conversion". . p. 2421 - 2427. Retrieved 2019.
• 2、 Liu, Ju,Liu, Fang,Li, Zhen,Li, Chunyan,Wu, Shuang,Shen, Jiwei,Wang, Huan,Du, Siyuan,Wei, Hao,Hou, Yunlei,Ding, Shi,Chen, Ye. "Novel 4-phenoxypyridine derivatives bearing imidazole-4-carboxamide and 1,2,4-triazole-3-carboxamide moieties: Design, synthesis and biological evaluation as potent antitumor agents". . . Retrieved 2022/01/26.
• 3、 Zhang, Zhenlei,Yang, Jiusi,Wu, Kairui,Yu, Renjie,Bu, Jiping,Huang, Zijun,Li, Shaoke,Ma, Xiantao. "Access to α,α-dihaloacetophenones through anodic C[dbnd]C bond cleavage in enaminones". supporting information. . Retrieved 2021/12/20.