2-Methyl-5-nonylbenzene-1,3-diol

Base Information

Chemical Name:2-Methyl-5-nonylbenzene-1,3-diol
CAS No.:61621-57-6
Molecular Formula:C₁₆H₂₆O₂
Molecular Weight:250.381
Hs Code.:
DSSTox Substance ID:DTXSID30571516
Wikidata:Q82459608

Synonyms:2-METHYL-5-NONYLBENZENE-1,3-DIOL;61621-57-6;SCHEMBL7521502;DTXSID30571516

Suppliers and Price of 2-Methyl-5-nonylbenzene-1,3-diol

Supply Marketing:

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

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Chemical Property of 2-Methyl-5-nonylbenzene-1,3-diol

Chemical Property:

XLogP3:6.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:250.193280068
Heavy Atom Count:18
Complexity:193

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCC1=CC(=C(C(=C1)O)C)O

Technology Process of 2-Methyl-5-nonylbenzene-1,3-diol

There total 10 articles about 2-Methyl-5-nonylbenzene-1,3-diol 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:

: 1,3-Dimethoxy-2-methyl-5-nonyl-benzene

: 61621-57-6
2-Methyl-5-nonyl-benzene-1,3-diol

Guidance literature:: With hydrogen bromide; In acetic acid; at 130 ℃; for 10h; Yield given;
DOI:10.1071/c96203

Reference yield:

: 111-83-1
1-bromo-octane

: 61621-57-6
2-Methyl-5-nonyl-benzene-1,3-diol

Guidance literature:: Multi-step reaction with 4 steps

1: diisopropylamine, butyllithium / tetrahydrofuran; hexamethylphosphoric acid triamide / - 20 deg C, 20 min; r.t., overnight

2: 30percent aq. oxalic acid / tetrahydrofuran / 1.5 h / Heating

3: Zn-Hg, HCl / toluene / 10 h / Heating

4: 47percent HBr / acetic acid / 10 h / 130 °C

With hydrogenchloride; n-butyllithium; hydrogen bromide; oxalic acid; diisopropylamine; mercury; zinc; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; acetic acid; toluene;
DOI:10.1071/c96203

Reference yield:

: 1011-27-4
3,5-dimethoxy-4-methylbenzaldehyde

: 61621-57-6
2-Methyl-5-nonyl-benzene-1,3-diol

Guidance literature:: Multi-step reaction with 5 steps

1: 96 percent / aq. NaHSO₃ / methanol; H₂O / 24 h / Ambient temperature

2: diisopropylamine, butyllithium / tetrahydrofuran; hexamethylphosphoric acid triamide / - 20 deg C, 20 min; r.t., overnight

3: 30percent aq. oxalic acid / tetrahydrofuran / 1.5 h / Heating

4: Zn-Hg, HCl / toluene / 10 h / Heating

5: 47percent HBr / acetic acid / 10 h / 130 °C

With hydrogenchloride; n-butyllithium; hydrogen bromide; oxalic acid; sodium hydrogensulfite; diisopropylamine; mercury; zinc; In tetrahydrofuran; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide; water; acetic acid; toluene;
DOI:10.1071/c96203