2-Hydroxy-3-(2-nitrophenylthio)-3-(4-methoxyphenyl)propionic acid

Base Information

• Chemical Name: 2-Hydroxy-3-(2-nitrophenylthio)-3-(4-methoxyphenyl)propionic acid
• CAS No.: 30067-06-2
• Molecular Formula: C₁₆H₁₅NO₆S
• Molecular Weight: 349.364
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10432676
• Nikkaji Number: J76.358F
• Mol file: 30067-06-2.mol

Synonyms:30067-06-2;2-Hydroxy-3-(2-nitrophenylthio)-3-(4-methoxyphenyl)propionic acid;2-HYDROXY-3-(4-METHOXY-PHENYL)-3-(2-NITRO-PHENYLSULFANYL)-PROPIONIC ACID;SCHEMBL9700570;DTXSID10432676;2-HYDROXY-3-(4-METHOXYPHENYL)-3-[(2-NITROPHENYL)SULFANYL]PROPANOIC ACID

Chemical Property of 2-Hydroxy-3-(2-nitrophenylthio)-3-(4-methoxyphenyl)propionic acid

Chemical Property:

• PSA: 137.88000
• LogP: 3.40550
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 349.06200837
• Heavy Atom Count: 24
• Complexity: 435

Purity/Quality:

99% ^*data from raw suppliers

2-HYDROXY-3-(4-METHOXY-PHENYL)-3-(2-NITRO-PHENYLSULFANYL)PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=CC=CC=C2[N+](=O)[O-]

Technology Process of 2-Hydroxy-3-(2-nitrophenylthio)-3-(4-methoxyphenyl)propionic acid

There total 3 articles about 2-Hydroxy-3-(2-nitrophenylthio)-3-(4-methoxyphenyl)propionic 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:

methyl 2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionate (30067-00-6) → 2-Hydroxy-3-(4-methoxy-phenyl)-3-(2-nitro-phenylsulfanyl)-propionic acid (30067-06-2)

Guidance literature:

With sodium hydroxide; In ethanol;

Reference yield:

methyl 3-(4-methoxyphenyl)glycidate (42245-42-1) → 2-Hydroxy-3-(4-methoxy-phenyl)-3-(2-nitro-phenylsulfanyl)-propionic acid (30067-06-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile

2: aq. NaOH / ethanol

With sodium hydroxide; In ethanol; acetonitrile;

Reference yield:

o-nitrothiophenol (4875-10-9) → 2-Hydroxy-3-(4-methoxy-phenyl)-3-(2-nitro-phenylsulfanyl)-propionic acid (30067-06-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile

2: aq. NaOH / ethanol

With sodium hydroxide; In ethanol; acetonitrile;

upstream raw materials:

methyl 2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionate

methyl 3-(4-methoxyphenyl)glycidate

o-nitrothiophenol

Downstream raw materials:

L-lysine salt of (2S,3S)-2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionic acid

(+/-)-trans-(2R,3S)-7-chloro-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4-[5H]-one

7-chloro-3c-hydroxy-2r-(4-methoxy-phenyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one