3-(3-methylbutoxy)benzoic Acid

Base Information

Chemical Name:3-(3-methylbutoxy)benzoic Acid
CAS No.:128161-60-4
Molecular Formula:C12H16O3
Molecular Weight:208.257
Hs Code.:2918990090
DSSTox Substance ID:DTXSID30406531
Wikidata:Q82211535
Mol file:128161-60-4.mol

Synonyms:3-(3-methylbutoxy)benzoic Acid;3-(ISOPENTYLOXY)BENZOIC ACID;128161-60-4;3-n-Pentoxybenzoic acid;SCHEMBL19019858;DTXSID30406531;AKOS000264258;3-(Isopentyloxy)benzoic acid, AldrichCPR;CS-0329097;AN-329/43341937;J-005569

Suppliers and Price of 3-(3-methylbutoxy)benzoic 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

Rieke Metals
3-(3-METHYLBUTOXY)BENZOICACID
5g
$ 1943.00

Rieke Metals
3-(3-METHYLBUTOXY)BENZOICACID
1g
$ 809.00

Matrix Scientific
3-(Isopentyloxy)benzoic acid
1g
$ 377.00

Matrix Scientific
3-(Isopentyloxy)benzoic acid
500mg
$ 240.00

Aronis compounds
3-(3-methylbutoxy)benzoicacid
1g
$ 185.00

American Custom Chemicals Corporation
3-(ISOPENTYLOXY)BENZOIC ACID 95.00%
500MG
$ 776.16

AK Scientific
3-(Isopentyloxy)benzoicacid
500mg
$ 374.00

Total 3 raw suppliers

Chemical Property of 3-(3-methylbutoxy)benzoic Acid

Chemical Property:

PSA：46.53000
LogP:2.80970
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Heavy Atom Count:15
Complexity:201

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-METHYLBUTOXY)BENZOICACID ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCOC1=CC=CC(=C1)C(=O)O
Uses 3-(Isopentyloxy)benzoic Acid can be prepared to use as autophagy inhibitors to treat cancer.

Technology Process of 3-(3-methylbutoxy)benzoic Acid

There total 4 articles about 3-(3-methylbutoxy)benzoic 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:

: methyl 3-(isopentyloxy)benzoate

: 128161-60-4
3-(isopentyloxy)benzoic acid

Guidance literature:: With sodium hydroxide;

Reference yield:

: 19438-10-9
methyl 3-hydroxybenzoate

: 128161-60-4
3-(isopentyloxy)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium methylate

2: NaOH-solution

With sodium hydroxide; sodium methylate;

Reference yield:

: 107-84-6
1-chloro-3-methylbutane

: 128161-60-4
3-(isopentyloxy)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 12 h / 50 °C

2: lithium hydroxide / tetrahydrofuran; methanol; water / 20 °C

With potassium carbonate; lithium hydroxide; In tetrahydrofuran; methanol; water; acetonitrile;
DOI:10.1016/j.ejmech.2020.113106