(5-tert-Butyl-2-methoxy-1,3-phenylene)dimethanethiol

Base Information

Chemical Name:(5-tert-Butyl-2-methoxy-1,3-phenylene)dimethanethiol
CAS No.:77180-48-4
Molecular Formula:C13H20OS2
Molecular Weight:256.433
Hs Code.:
DSSTox Substance ID:DTXSID90446534
Nikkaji Number:J1.962.201K
Wikidata:Q82265211

Synonyms:77180-48-4;(5-tert-Butyl-2-methoxy-1,3-phenylene)dimethanethiol;DTXSID90446534;2-Methoxy-5-tert-butyl-1,3-benzenebismethanethiol

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

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Chemical Property of (5-tert-Butyl-2-methoxy-1,3-phenylene)dimethanethiol

Chemical Property:

PSA：86.83000
LogP:3.85230
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:256.09555760
Heavy Atom Count:16
Complexity:199

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=C(C(=C1)CS)OC)CS

Technology Process of (5-tert-Butyl-2-methoxy-1,3-phenylene)dimethanethiol

There total 2 articles about (5-tert-Butyl-2-methoxy-1,3-phenylene)dimethanethiol 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: 89.0%

: 69403-15-2
1,3-Bis(bromomethyl)-5-tert-butyl-2-methoxybenzene

: 77180-48-4
(5-tert-butyl-2-methoxy-1,3-phenylene)dimethanethiol

Guidance literature:: With thiourea; In dimethyl sulfoxide; for 5h; Ambient temperature;
DOI:10.1021/jo970181w

Reference yield:

: 5396-38-3
1-(tert-butyl)-4-methoxybenzene

: 77180-48-4
(5-tert-butyl-2-methoxy-1,3-phenylene)dimethanethiol

Guidance literature:: Multi-step reaction with 2 steps

1: 40 percent / HBr / acetic acid / 48 h / 90 - 95 °C

2: 89 percent / thiourea / dimethylsulfoxide / 5 h / Ambient temperature

With hydrogen bromide; thiourea; In acetic acid; dimethyl sulfoxide;
DOI:10.1021/jo970181w

Reference yield:

: 77180-48-4
(5-tert-butyl-2-methoxy-1,3-phenylene)dimethanethiol

: 3442-78-2
2-methylpyrene

Guidance literature:: Multi-step reaction with 6 steps

1: 61 percent / KOH / benzene; ethanol

2: 97 percent / m-chloroperbenzoic acid / CHCl₃ / 48 h / Ambient temperature

3: 77 percent / 500 °C / 2 - 3 Torr

4: 91 percent / I₂ / benzene / 6 h / 60 °C / other 13-substituted 5-tert-butyl-8-methoxy<2.2>methacyclophanes, various reaction times and iodine molar concentrations

5: 98 percent / AlCl₃-CH₃NO₂ / benzene / 2 h / Ambient temperature

6: 83 percent / DDQ / benzene / 4 h / Heating

With potassium hydroxide; aluminium trichloride; nitromethane; iodine; 3-chloro-benzenecarboperoxoic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In ethanol; chloroform; benzene;
DOI:10.1021/jo00391a004