(4,5-Dimethylthiophen-3-yl)methanol

Base Information

• Chemical Name: (4,5-Dimethylthiophen-3-yl)methanol
• CAS No.: 119072-18-3
• Molecular Formula: C₇H₁₀OS
• Molecular Weight: 142.222
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90559052
• Wikidata: Q82441578
• Mol file: 119072-18-3.mol

Synonyms:(4,5-Dimethylthiophen-3-yl)methanol;119072-18-3;(4,5-DIMETHYL-3-THIENYL)METHANOL;MFCD11053922;(4,5-dimethyl-3-thienyl)methanol(SALTDATA: FREE);SCHEMBL17767092;DTXSID90559052;LPJCGFQYTJHIFL-UHFFFAOYSA-N;3-Thiophenemethanol, 4,5-dimethyl-;AKOS006308945;(4,5-dimethylthiophen-3-yl)-methanol;AT16770;SY211311;CS-0279641;EN300-312353;Z1198310118

Chemical Property of (4,5-Dimethylthiophen-3-yl)methanol

Chemical Property:

• Vapor Pressure: 0.0147mmHg at 25°C
• Boiling Point: 246.1°C at 760 mmHg
• Flash Point: 102.6°C
• PSA: 48.47000
• Density: 1.135g/cm³
• LogP: 1.85720
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.04523611
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

(4,5-Dimethylthiophen-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1CO)C

Technology Process of (4,5-Dimethylthiophen-3-yl)methanol

There total 4 articles about (4,5-Dimethylthiophen-3-yl)methanol 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: 86.0%

ethyl 4,5-dimethylthiophene-3-carboxylate (19156-44-6) → 4.5-Dimethyl-3-thiophenmethanol (119072-18-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

Reference yield: 45.0%

4,5-dimethylthiophene-3-carbaldehyde (30187-23-6) + (E)-6-Brom-2-hepten (119072-17-2) → 4.5-Dimethyl-3-thiophenmethanol (119072-18-3) + 4-(1-Hydroxy-2-methyl-(E)-5-heptenyl)-2,3-dimethylthiophen (119072-14-9,119072-20-7)

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1.) Ether, 2 h, reflux 2.) Ether, 1.5 h, reflux;

Reference yield:

2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester (4815-24-1) → 4.5-Dimethyl-3-thiophenmethanol (119072-18-3)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; sodium nitrite / 1,4-dioxane; water / 0.17 h / 0 - 5 °C

2: copper diacetate; ethanol / 1.5 h / 20 - 70 °C

3: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 0 - 20 °C

With hydrogenchloride; lithium aluminium tetrahydride; ethanol; copper diacetate; sodium nitrite; In tetrahydrofuran; 1,4-dioxane; water;

DOI:10.1007/s10593-015-1647-z

upstream raw materials:

4,5-dimethylthiophene-3-carbaldehyde

(E)-6-Brom-2-hepten

2-amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester

ethyl 4,5-dimethylthiophene-3-carboxylate