4-Chloro-2-nitrophenylacetic acid

Base Information

• Chemical Name: 4-Chloro-2-nitrophenylacetic acid
• CAS No.: 37777-71-2
• Molecular Formula: C8H6ClNO4
• Molecular Weight: 215.593
• Hs Code.: 2916399090
• NSC Number: 115143
• DSSTox Substance ID: DTXSID20297298
• Wikidata: Q72455925
• Mol file: 37777-71-2.mol

Synonyms:37777-71-2;4-Chloro-2-nitrophenylacetic acid;2-(4-chloro-2-nitrophenyl)acetic acid;(4-Chloro-2-nitro-phenyl)-acetic acid;(4-chloro-2-nitrophenyl)acetic acid;MFCD11036386;4-chloro-2-nitro-phenylacetic acid;NSC115143;SCHEMBL442788;LCZC2021;DTXSID20297298;4-Chloro-2-nitrobenzeneacetic acid;BCP18242;STL294762;2-(4-chloro-2-nitrophenyl)aceticacid;AKOS000113541;NSC 115143;NSC-115143;SB36922;AC-26996;AS-33220;SY030749;BB 0258813;CS-0060422;FT-0648021;A823866;J-514981

Chemical Property of 4-Chloro-2-nitrophenylacetic acid

Chemical Property:

• Vapor Pressure: 7.56E-06mmHg at 25°C
• Refractive Index: 1.61
• Boiling Point: 361.2 °C at 760 mmHg
• Flash Point: 172.2 °C
• PSA: 83.12000
• Density: 1.532 g/cm³
• LogP: 2.39850
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.9985354
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

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

2-(4-Chloro-2-nitrophenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])CC(=O)O

Technology Process of 4-Chloro-2-nitrophenylacetic acid

There total 13 articles about 4-Chloro-2-nitrophenylacetic acid 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: 50.0%

(4-chloro-2-nitro-phenyl)-acetonitrile (87081-90-1) → 4-chloro-2-nitro-phenylacetic acid (37777-71-2)

Guidance literature:

With sulfuric acid; In water; for 0.333333h; Heating;

DOI:10.1002/jhet.5570410303

Reference yield:

(4-amino-2-nitrophenyl)acetic acid (116435-81-5) → 4-Chloro-2-nitrobenzaldehyde (5551-11-1) + 4-chloro-2-nitro-phenylacetic acid (37777-71-2)

Guidance literature:

With hydrogenchloride; at 0 ℃; anschliessendes Erhitzen mit Wasserdampf;

DOI:10.1039/jr9380001841

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + (4-amino-2-nitrophenyl)acetic acid (116435-81-5) → 4-Chloro-2-nitrobenzaldehyde (5551-11-1) + 4-chloro-2-nitro-phenylacetic acid (37777-71-2)

Guidance literature:

anschliessend Behandeln mit Kupfer(I)-chlorid und Erhitzen des Reaktionsgemisches mit Wasserdampf;

DOI:10.1039/jr9380001841

upstream raw materials:

(4-amino-2-nitrophenyl)acetic acid

4-chloro-2-nitrotoluene

oxalic acid diethyl ester

(4-chloro-2-nitro-phenyl)-pyruvic acid

Downstream raw materials:

1-(4-chloro-2-nitrophenyl)propan-2-one

(2-amino-4-chlorophenyl)acetic acid

glycine, N-[[4-chloro-2-[[7-methoxy-6-[2-[[2-(4-morpholinyl)ethyl]amino]ethoxy]-4-quinazolinyl]amino]phenyl]acetyl]-

glycine, N-[[2-[[6-(3-aminopropoxy)-7-methoxy-4-quinazolinyl]amino]-4-chlorophenyl]acetyl]-, ethyl ester

Refernces

• 1、 Loewe, Werner,Witzel, Sonja,Tappmeyer, Silvia,Albuschat, Rica. "An aminoisoflavone-salicyloylindole ring transformation". . p. 317 - 326. Retrieved 2007/10/03.
• 2、 -. "Oxindoles as sleep-inducers". . . Retrieved 2008/06/13.