3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid

Base Information

• Chemical Name: 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid
• CAS No.: 60788-67-2
• Molecular Formula: C₁₀H₉NO₃S
• Molecular Weight: 223.252
• DSSTox Substance ID: DTXSID40353406
• Wikidata: Q82130992
• Mol file: 60788-67-2.mol

Synonyms:60788-67-2;3-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid;3-(benzooxazol-2-ylsulfanyl)propionic acid;3-(Benzo[d]oxazol-2-ylthio)propanoic acid;3-(Benzooxazol-2-ylsulfanyl)-propionic acid;Oprea1_297993;Oprea1_747382;SCHEMBL6271552;DTXSID40353406;DAPKNYUHIYHYBJ-UHFFFAOYSA-N;HMS1674N13;BBL028896;STK364757;3-(2-benzoxazolylthio)propionic acid;3-(benzoxazol-2-ylthio)propanoic acid;AKOS000142710;3-(Benzo[d]oxazol-2-ylthio)propanoicacid;VS-09022;3-(1,3-benzoxazol-2-ylthio)propanoic acid;CS-0314664;SR-01000402323;SR-01000402323-1;3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid, AldrichCPR

Chemical Property of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 223.03031432
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98%min ^*data from raw suppliers

3-(Benzooxazol-2-ylsulfanyl)propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)SCCC(=O)O

Technology Process of 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid

There total 7 articles about 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic 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: 90.0%

3-(2-benzoxazolylthio)propanenitrile (25176-73-2) → 3-(2-Benzoxazolylthio)propionic acid (60788-67-2)

Guidance literature:

With hydrogenchloride; derivatives with CN and CONH₂ gived a same product;

DOI:10.1007/BF00542791

Reference yield: 40.8%

benzo[d]oxazole-2-(3H)-thione (2382-96-9) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 3-(3-benzothiazolinyl-2-thiono) propionic acid (41405-51-0) + Methyl 3-(3-benzoxazolinyl-2-thiono)propionate (41449-20-1) + 3-(2-Benzoxazolylthio)propionic acid (60788-67-2) + Methyl 3-(2-Benzoxazolylthio)propionate (107235-88-1)

Guidance literature:

With triethylamine; In toluene; at 110 ℃; for 1h; Product distribution; Time 5 h.;

DOI:10.1007/BF00519541

Reference yield:

benzo[d]oxazole-2-(3H)-thione (2382-96-9) + acrylonitrile (107-13-1,25014-41-9) → 3-(3-benzothiazolinyl-2-thiono) propionic acid (41405-51-0) + 3-(2-benzoxazolylthio)propanenitrile (25176-73-2) + 3-(2-Benzoxazolylthio)propionamide (92064-62-5) + 3-(2-Benzoxazolylthio)propionic acid (60788-67-2)

Guidance literature:

With sulfuric acid; at 110 ℃; for 1h; Product distribution; different time, temperature, solvent, AlCl₃ as reagent;

DOI:10.1007/BF00542791

upstream raw materials:

benzo[d]oxazole-2-(3H)-thione

acrylonitrile

2-propenamide

acrylic acid methyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 60788-67-2 3-(1,3-BENZOXAZOL-2-YLSULFANYL)PROPANOIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send