3-(tert-Butyl)-4-hydroxybenzonitrile

Base Information

Chemical Name:3-(tert-Butyl)-4-hydroxybenzonitrile
CAS No.:4910-04-7
Molecular Formula:C11H13NO
Molecular Weight:175.23
Hs Code.:2926909090
DSSTox Substance ID:DTXSID80594013
Wikidata:Q82488700
Mol file:4910-04-7.mol

Synonyms:3-(tert-Butyl)-4-hydroxybenzonitrile;4910-04-7;3-TERT-BUTYL-4-HYDROXYBENZONITRILE;MFCD16999179;Benzonitrile, 3-(1,1-dimethylethyl)-4-hydroxy-;SCHEMBL5368308;DTXSID80594013;WOQNZPYFQSOAJS-UHFFFAOYSA-N;3-tert-Butyl-4-hydroxy-benzonitrile;AKOS015999936;MB25599;AM806587;DS-17948;SY045098;DB-128111;CS-0160098;3-(1,1-dimethylethyl)-4-hydroxybenzonitrile;A913978

Suppliers and Price of 3-(tert-Butyl)-4-hydroxybenzonitrile

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

TRC
3-(tert-Butyl)-4-hydroxybenzonitrile
500mg
$ 175.00

Crysdot
3-(tert-Butyl)-4-hydroxybenzonitrile 98%
10g
$ 525.00

Crysdot
3-(tert-Butyl)-4-hydroxybenzonitrile 98%
25g
$ 1052.00

Crysdot
3-(tert-Butyl)-4-hydroxybenzonitrile 98%
1g
$ 101.00

Crysdot
3-(tert-Butyl)-4-hydroxybenzonitrile 98%
5g
$ 303.00

Chemenu
3-(tert-Butyl)-4-hydroxybenzonitrile 98%
10g
$ 496.00

Chemenu
3-(tert-Butyl)-4-hydroxybenzonitrile 98%
5g
$ 286.00

Chemenu
3-(tert-Butyl)-4-hydroxybenzonitrile 98%
25g
$ 991.00

American Custom Chemicals Corporation
3-(TERT-BUTYL)-4-HYDROXYBENZONITRILE 95.00%
5MG
$ 496.65

AK Scientific
3-(tert-Butyl)-4-hydroxybenzonitrile
10g
$ 721.00

Total 9 raw suppliers

Chemical Property of 3-(tert-Butyl)-4-hydroxybenzonitrile

Chemical Property:

PSA：44.02000
LogP:2.56138
Storage Temp.:2-8°C
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:175.099714038
Heavy Atom Count:13
Complexity:220

Purity/Quality:

≥99% ^*data from raw suppliers

3-(tert-Butyl)-4-hydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=C(C=CC(=C1)C#N)O

Technology Process of 3-(tert-Butyl)-4-hydroxybenzonitrile

There total 5 articles about 3-(tert-Butyl)-4-hydroxybenzonitrile 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: 78.0%

: 10323-39-4
4-bromo-2-tert-butylphenol

: copper(l) cyanide

: 4910-04-7
3-(1,1-dimethylethyl)-4-hydroxybenzonitrile

Guidance literature:: In N,N-dimethyl-formamide; for 5h; Reflux;
DOI:10.1002/ejic.201201549

Reference yield:

: 65678-11-7
3-(1,1-Dimethylethyl)-4-hydroxy-benzaldehyde

: 4910-04-7
3-(1,1-dimethylethyl)-4-hydroxybenzonitrile

Guidance literature:: With hydroxylamine hydrochloride; acetic acid; for 1h; Reflux;

Reference yield:

: 88-18-6
2-tert-Butylphenol

: 4910-04-7
3-(1,1-dimethylethyl)-4-hydroxybenzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide; water / methanol / 4 h / 60 °C

1.2: 0 - 20 °C / pH 5 - 6

2.1: hydroxylamine hydrochloride; acetic acid / 1 h / Reflux

With hydroxylamine hydrochloride; water; acetic acid; sodium hydroxide; In methanol;