4-Methoxy-1,3-benzodioxole-5-carboxylic acid

Base Information

Chemical Name:4-Methoxy-1,3-benzodioxole-5-carboxylic acid
CAS No.:484-32-2
Molecular Formula:C₉H₈O₅
Molecular Weight:196.16
Hs Code.:
DSSTox Substance ID:DTXSID70345798
Nikkaji Number:J5.996J
Wikidata:Q82118534
Mol file:484-32-2.mol

Synonyms:484-32-2;Croweacin acid;4-Methoxy-1,3-benzodioxole-5-carboxylic acid;Croweacic acid;Methoxypiperonylsaure;DTXSID70345798;4-Methoxy-1,3-benzodioxole-5-carboxylic acid #

Suppliers and Price of 4-Methoxy-1,3-benzodioxole-5-carboxylic 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 4-Methoxy-1,3-benzodioxole-5-carboxylic acid

Chemical Property:

Melting Point:153 °C
Boiling Point:337.0±42.0 °C(Predicted)
PKA:4.24±0.20(Predicted)
PSA：64.99000
Density:1.430±0.06 g/cm3(Predicted)
LogP:1.12210
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:196.03717335
Heavy Atom Count:14
Complexity:229

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=CC2=C1OCO2)C(=O)O

Technology Process of 4-Methoxy-1,3-benzodioxole-5-carboxylic acid

There total 7 articles about 4-Methoxy-1,3-benzodioxole-5-carboxylic 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: 98.0%

: 5779-99-7
4-methoxybenzo[d][1,3]dioxole-5-carbaldehyde

: 484-32-2
2-methoxy-3,4-methylenedioxybenzoic acid

Guidance literature:: With sodium chlorite; disodium hydrogenphosphate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; for 0.5h; Ambient temperature;

Reference yield:

: 118871-61-7
5-bromo-4-methoxy-benzo[1,3]dioxole

: 484-32-2
2-methoxy-3,4-methylenedioxybenzoic acid

Guidance literature:: With n-butyllithium; diethyl ether; at -70 ℃; Behandeln des Reaktionsgemisches mit festem Kohlendioxid;
DOI:10.1021/ja01527a053

Reference yield:

: 1817-95-4
4-methoxy-benzo[1,3]dioxole

: 484-32-2
2-methoxy-3,4-methylenedioxybenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) phosphorus oxychloride / 1.) RT, 30 min, 2.) 100 deg C, 2 h

2: 98 percent / sodium chlorite, dibasic sodium phosphate, 2-methyl-2-butene / 2-methyl-propan-2-ol; H₂O / 0.5 h / Ambient temperature

With sodium chlorite; disodium hydrogenphosphate; 2-methyl-but-2-ene; trichlorophosphate; In water; tert-butyl alcohol;