2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid

Base Information

Chemical Name:2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid
CAS No.:86818-29-3
Molecular Formula:C₁₇H₁₄ClNO₃
Molecular Weight:315.756
Hs Code.:
DSSTox Substance ID:DTXSID701007111
Mol file:86818-29-3.mol

Synonyms:BRN 4535060;86818-29-3;2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid;3-(4-Chlorophenyl)-alpha-methyl-2H-1,4-benzoxazine-6-acetic acid;2H-1,4-Benzoxazine-6-acetic acid, 3-(4-chlorophenyl)-alpha-methyl-;DTXSID701007111;LS-41667

Suppliers and Price of 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid

Chemical Property:

Vapor Pressure:2.85E-10mmHg at 25°C
Boiling Point:486.4°Cat760mmHg
Flash Point:247.9°C
PSA：58.89000
Density:1.34g/cm³
LogP:3.47690
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:315.0662210
Heavy Atom Count:22
Complexity:445

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC2=C(C=C1)OCC(=N2)C3=CC=C(C=C3)Cl)C(=O)O

Technology Process of 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]propanoic acid

There total 3 articles about 2-[3-(4-chlorophenyl)-2H-1,4-benzoxazin-6-yl]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: 67.0%

: 86818-23-7
2-[3-(4-Chloro-phenyl)-2H-benzo[1,4]oxazin-6-yl]-propionic acid ethyl ester

: 86818-29-3
2-[3-(4-Chloro-phenyl)-2H-benzo[1,4]oxazin-6-yl]-propionic acid

Guidance literature:: With sulfuric acid; Heating;

Reference yield:

: 536-38-9
4-chlorobenzoylmethyl bromide

: 86818-29-3
2-[3-(4-Chloro-phenyl)-2H-benzo[1,4]oxazin-6-yl]-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 48 percent / K₂CO₃ / acetone / Heating

2: 67 percent / 20percent H₂SO₄ / Heating

With sulfuric acid; potassium carbonate; In acetone;

Reference yield:

: 51234-45-8
ethyl 2-(3-amino-4-hydroxyphenyl)-propionate

: 86818-29-3
2-[3-(4-Chloro-phenyl)-2H-benzo[1,4]oxazin-6-yl]-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 48 percent / K₂CO₃ / acetone / Heating

2: 67 percent / 20percent H₂SO₄ / Heating

With sulfuric acid; potassium carbonate; In acetone;