alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic acid

Base Information

Chemical Name:alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic acid
CAS No.:51234-64-1
Molecular Formula:C17H13NO5
Molecular Weight:311.2888
Hs Code.:
DSSTox Substance ID:DTXSID10965515
Nikkaji Number:J67.872D
Mol file:51234-64-1.mol

Synonyms:BRN 0567987;alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic acid;51234-64-1;5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(3,4-METHYLENEDIOXYPHENYL)-;C17H13NO5;DTXSID10965515;LS-42100;5-Benzoxazoleacetic acid, 2-(1,3-benzodioxol-5-yl)-.alpha.-methyl-;2-[2-(2H-1,3-BENZODIOXOL-5-YL)-1,3-BENZOXAZOL-5-YL]PROPANOIC ACID

Suppliers and Price of alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic acid

Chemical Property:

Vapor Pressure:7.05E-10mmHg at 25°C
Boiling Point:476.3°Cat760mmHg
Flash Point:241.8°C
PSA：81.79000
Density:1.41g/cm³
LogP:3.41160
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:311.07937252
Heavy Atom Count:23
Complexity:458

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC2=C(C=C1)OC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)O

Technology Process of alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic acid

There total 10 articles about alpha-Methyl-2-(3,4-methylenedioxyphenyl)-5-benzoxazoleacetic 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:

: 21850-61-3
2-(4-hydroxyphenyl)propanenitrile

: 51234-64-1
2-(2-benzo[1,3]dioxol-5-yl-benzooxazol-5-yl)-propionic acid

Guidance literature:: Multi-step reaction with 6 steps

1: HNO₃ / acetic acid

2: SnCl₂, aq. HCl / ethanol

3: aq. HCl / Heating

4: HCl / Heating

5: Py

6: aq. NaOH / ethanol / 4.5 h / Ambient temperature

With pyridine; hydrogenchloride; sodium hydroxide; nitric acid; tin(ll) chloride; In ethanol; acetic acid;
DOI:10.1021/jm00235a012

Reference yield:

: 51234-22-1,66934-21-2
3-nitro-4-hydroxyphenyl-α-methyl-acetonitrile

: 51234-64-1
2-(2-benzo[1,3]dioxol-5-yl-benzooxazol-5-yl)-propionic acid

Guidance literature:: Multi-step reaction with 5 steps

1: SnCl₂, aq. HCl / ethanol

2: aq. HCl / Heating

3: HCl / Heating

4: Py

5: aq. NaOH / ethanol / 4.5 h / Ambient temperature

With pyridine; hydrogenchloride; sodium hydroxide; tin(ll) chloride; In ethanol;
DOI:10.1021/jm00235a012

Reference yield:

: 51234-23-2,66934-23-4
2-(3-amino-4-hydroxyphenyl)-propionitrile

: 51234-64-1
2-(2-benzo[1,3]dioxol-5-yl-benzooxazol-5-yl)-propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: aq. HCl / Heating

2: HCl / Heating

3: Py

4: aq. NaOH / ethanol / 4.5 h / Ambient temperature

With pyridine; hydrogenchloride; sodium hydroxide; In ethanol;
DOI:10.1021/jm00235a012