1,3-Benzodioxole-2-acetic acid, 2-methyl-

Base Information

• Chemical Name: 1,3-Benzodioxole-2-acetic acid, 2-methyl-
• CAS No.: 4442-72-2
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50196169
• Nikkaji Number: J41.246E
• Wikidata: Q83069248
• Mol file: 4442-72-2.mol

Synonyms:4442-72-2;2-Methyl-1,3-benzodioxole-2-acetic acid;1,3-BENZODIOXOLE-2-ACETIC ACID, 2-METHYL-;2-(2-methyl-1,3-benzodioxol-2-yl)acetic acid;BRN 0147052;2-(2-Methyl-2H-1,3-benzodioxol-2-yl)acetic acid;4-19-00-03531 (Beilstein Handbook Reference);SCHEMBL11814891;DTXSID50196169;AKOS006343304;LS-34624;2-(2-methyl-1,3-dioxaindan-2-yl)acetic acid;EN300-761284;2-(2-Methyl-2H-1,3-benzodioxol-2-yl)aceticacid

Chemical Property of 1,3-Benzodioxole-2-acetic acid, 2-methyl-

Chemical Property:

• Vapor Pressure: 4E-05mmHg at 25°C
• Boiling Point: 337.8°Cat760mmHg
• Flash Point: 136.5°C
• PSA: 55.76000
• Density: 1.283g/cm³
• LogP: 1.64870
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

95% ^*data from raw suppliers

1,3-BENZODIOXOLE-2-ACETIC ACID, 2-METHYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC2=CC=CC=C2O1)CC(=O)O

Technology Process of 1,3-Benzodioxole-2-acetic acid, 2-methyl-

There total 2 articles about 1,3-Benzodioxole-2-acetic acid, 2-methyl- 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:

ethyl 2-(2-methylbenzo[d][1,3]dioxol-2-yl)acetate (50835-95-5) → (2-methyl-benzo[1,3]dioxol-2-yl)-acetic acid (4442-72-2) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9)

Guidance literature:

With potassium hydroxide;

Reference yield:

→ (2-methyl-benzo[1,3]dioxol-2-yl)-acetic acid (4442-72-2)

Guidance literature:

Reference yield:

(2-methyl-benzo[1,3]dioxol-2-yl)-acetic acid (4442-72-2) → benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9)

Guidance literature:

upstream raw materials:

ethyl 2-(2-methylbenzo[d][1,3]dioxol-2-yl)acetate

Downstream raw materials:

2,2-dimethyl-1,3-benzodioxole

benzene-1,2-diol