2-[(4-NITROPHENYL)SULFANYL]ACETIC ACID

Base Information

• Chemical Name: 2-[(4-NITROPHENYL)SULFANYL]ACETIC ACID
• CAS No.: 3406-75-5
• Molecular Formula: C8H7NO4S
• Molecular Weight: 213.214
• Hs Code.: 2916399090
• Mol file: 3406-75-5.mol

Synonyms:Aceticacid, [(4-nitrophenyl)thio]- (9CI);Acetic acid, [(p-nitrophenyl)thio]-(6CI,7CI,8CI);2-(4-Nitrophenylthio)acetic acid;NSC 51445;S-(p-Nitrophenyl)mercaptoacetic acid;[(4-Nitrophenyl)thio]acetic acid;[(4-Nitrophenyl)sulfanyl]acetic acid;

Chemical Property of 2-[(4-NITROPHENYL)SULFANYL]ACETIC ACID

Chemical Property:

• Vapor Pressure: 1.05E-07mmHg at 25°C
• Melting Point: 155-157 ºC
• Refractive Index: 1.639
• Boiling Point: 417.2 °C at 760 mmHg
• Flash Point: 206.1 °C
• PSA: 108.42000
• Density: 1.48 g/cm³
• LogP: 2.29470

Purity/Quality:

99% ^*data from raw suppliers

2-[(4-nitrophenyl)sulfanyl]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-[(4-NITROPHENYL)SULFANYL]ACETIC ACID

There total 38 articles about 2-[(4-NITROPHENYL)SULFANYL]ACETIC 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: 98.0%

N-Benzyl-N-(4-methoxy-benzyl)-4-nitro-benzenesulfonamide (171414-22-5) → 2-(4-nitrophenylthio)acetic acid (3406-75-5) + benzyl-(4-methoxybenzyl)amine (14429-02-8)

Guidance literature:

With lithium hydroxide; mercaptoacetic acid; In N,N-dimethyl-formamide; at 23 ℃; for 1h;

DOI:10.1016/0040-4039(95)01316-A

Reference yield: 95.0%

methyl N-methyl-N-nosyl-p-aminobenzoate (881005-27-2) + mercaptoacetic acid (68-11-1) → 2-(4-nitrophenylthio)acetic acid (3406-75-5) + methyl 4-(N-methyl)aminobenzoate (18358-63-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃;

DOI:10.1016/j.tet.2006.03.104

Reference yield: 93.0%

N-methyl-N-(4-methoxyphenyl)-4-nitrobenzene sulphonamide (900537-28-2) + mercaptoacetic acid (68-11-1) → 2-(4-nitrophenylthio)acetic acid (3406-75-5) + N-methyl-N-(4-methoxyphenyl)amine (5961-59-1)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃;

DOI:10.1016/j.tet.2006.03.104

upstream raw materials:

mercaptoacetic acid

4-chlorobenzonitrile

chloroacetic acid

para-nitrobenzenethiol

Downstream raw materials:

E-3-(4-nitrophenylthiomethylene)phthalide

3-[1-(4-Nitro-phenylsulfanyl)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one

1-methanesulfonyl-4-nitrobenzene

2-(2-(4-nitrophenylthio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Refernces

• 1、 Wang, Luhong,Ai, Min,Yu, Jiawen,Jin, Lingling,Wang, Changyuan,Liu, Zhihao,Shu, Xiaohong,Tang, Zeyao,Liu, Kexin,Luo, Hui,Guan, Wenshun,Sun, Xiuli,Ma, Xiaodong. "Structure-based modification of carbonyl-diphenylpyrimidines (Car-DPPYs) as a novel focal adhesion kinase (FAK) inhibitor against various stubborn cancer cells". . p. 154 - 162. Retrieved 2019/04/13.
• 2、 -. "Thiopyrimidine heterocycle anti-tumor compounds as well as preparation method and application thereof". Paragraph 0038; 0046; 0047. . Retrieved 2018/11/03.