4-(5-Chloro-1,3-benzoxazol-2-yl)aniline

Base Information

• Chemical Name: 4-(5-Chloro-1,3-benzoxazol-2-yl)aniline
• CAS No.: 293737-78-7
• Molecular Formula: C13H9ClN2O
• Molecular Weight: 244.68
• Hs Code.: 2934999090
• European Community (EC) Number: 657-270-3
• ChEMBL ID: CHEMBL2262687
• Mol file: 293737-78-7.mol

Synonyms:4-(5-chloro-1,3-benzoxazol-2-yl)aniline;293737-78-7;4-(5-chlorobenzo[d]oxazol-2-yl)aniline;CBiol_000531;4-(5-Chloro-benzooxazol-2-yl)-phenylamine;4-(5-chlorobenzoxazol-2-yl)phenylamine;Cambridge id 5770013;Oprea1_740864;Oprea1_858461;SCHEMBL1734841;CHEMBL2262687;GYSYRVJSEWBENX-UHFFFAOYSA-N;BBL008208;ICCB3_000179;MFCD00477457;STK345879;AKOS000103095;CCG-106249;VS-01860;BB 0245349;CS-0227412;FT-0725598;4-(5-chloro-1,3-benzoxazol-2-yl)phenylamine;AB00096338-01;SR-01000430194;SR-01000430194-1

Chemical Property of 4-(5-Chloro-1,3-benzoxazol-2-yl)aniline

Chemical Property:

• PSA: 52.05000
• LogP: 4.31160
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 244.0403406
• Heavy Atom Count: 17
• Complexity: 268

Purity/Quality:

4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)N

Technology Process of 4-(5-Chloro-1,3-benzoxazol-2-yl)aniline

There total 2 articles about 4-(5-Chloro-1,3-benzoxazol-2-yl)aniline 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: 77.0%

→ 4-(5-chlorobenzo[d]oxazol-2-yl)aniline (293737-78-7)

Guidance literature:

Reference yield: 45.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 2-hydroxy-5-chloro-aniline (95-85-2) → 4-(5-chlorobenzo[d]oxazol-2-yl)aniline (293737-78-7)

Guidance literature:

With PPA; at 100 ℃; for 2.5h;

DOI:10.1007/s00044-007-9005-z

Reference yield: 96.0%

4-(5-chlorobenzo[d]oxazol-2-yl)aniline (293737-78-7) + 2-phenoxypropanoic acid chloride (122-35-0) → C22H17ClN2O3 (1214741-84-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine;

DOI:10.1016/j.bmcl.2009.12.046

upstream raw materials:

4-amino-benzoic acid

2-hydroxy-5-chloro-aniline

Downstream raw materials:

2-bromo-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide

C₂₁H₁₅ClN₂O₂S

C₂₁H₁₅ClN₂O₃

C₂₁H₁₆ClN₃O₂