2-Methyltetrahydrothiophene

Base Information

• Chemical Name: 2-Methyltetrahydrothiophene
• CAS No.: 1795-09-1
• Molecular Formula: C5H10 S
• Molecular Weight: 102.2
• Hs Code.: 29349990
• European Community (EC) Number: 217-270-2
• UNII: K290J6114Q
• DSSTox Substance ID: DTXSID20870909
• Nikkaji Number: J43.504J
• Wikidata: Q27281846
• Mol file: 1795-09-1.mol

Synonyms:2-Methyltetrahydrothiophene;1795-09-1;2-Methylthiolane;2-Methylthiacyclopentane;Thiophene, tetrahydro-2-methyl-;2-Methylthiophane;TETRAHYDRO-2-METHYLTHIOPHENE;Thiophene, tetrahydromethyl-;UNII-K290J6114Q;EINECS 217-270-2;K290J6114Q;2-methylthi-olane;2-methyl tetrahydrothiophene;SCHEMBL78266;2-methyl-tetrahydro-thiophene;Methyltetrahydrothiophene;98%;Tetrahydrothiophene, 2-methyl-;DTXSID20870909;(+/-)-2-METHYLTHIOLANE;MFCD00015539;TD8134;AKOS006229802;2-Methyltetrahydrothiophene, AldrichCPR;AS-54716;B0257;FT-0694544;2-METHYLTETRAHYDROTHIOPHENE, (+/-)-;Q27281846

Chemical Property of 2-Methyltetrahydrothiophene

Chemical Property:

• Melting Point: -100.7℃
• Refractive Index: 1.5073 (589.3 nm 20℃)
• Boiling Point: 132.5°Cat760mmHg
• Flash Point: 28.1°C
• PSA: 25.30000
• Density: 0.944g/cm³
• LogP: 1.90190
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 102.05032149
• Heavy Atom Count: 6
• Complexity: 43.2

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyltetrahydrothiophene ^*data from reagent suppliers

Safty Information:

• Statements: 11-36/37/38-22-10
• Safety Statements: 9-16-36-60-43-36/37-33-26-7

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCS1

Technology Process of 2-Methyltetrahydrothiophene

There total 27 articles about 2-Methyltetrahydrothiophene 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: 94.1%

1,4-dibromopentane (626-87-9) → 2-methylthiolane (1795-09-1)

Guidance literature:

With sodium sulfide; In dimethyl sulfoxide; at 150 ℃; for 0.25h;

Reference yield: 65.0%

2-Methylthiophene (554-14-3) → 2-methylthiolane (1795-09-1) + 2-methyl-2,5-dihydrothiophene (55273-87-5)

Guidance literature:

With aluminium trichloride; toluene-4-sulfonic acid; zinc; at 20 ℃; for 8h;

DOI:10.1007/BF00954057

Reference yield:

2-methyltetrahydrofuran (96-47-9) → 2-methylthiolane (1795-09-1)

Guidance literature:

With aluminum oxide; hydrogen sulfide; at 350 ℃;

upstream raw materials:

2-methyltetrahydrofuran

1,4-diiodopentene

1,4-dibromopentane

piperidine

Downstream raw materials:

4-Methyl-N-[2-methyl-tetrahydro-1λ⁴-thiophen-(1E)-ylidene]-benzenesulfonamide

4-Methyl-N-[(S)-2-methyl-tetrahydro-1λ⁴-thiophen-(1E)-ylidene]-benzenesulfonamide

1-(2,5-Dihydroxy-phenyl)-2-methyl-tetrahydro-thiophenium; chloride

pent-4-en-1-yl phenyl sulfide

Refernces

• 1、 Leonard,Figueras. "-". . p. 917,919. Retrieved 1952.
• 2、 Ricci, Paolo,Khotavivattana, Tanatorn,Pfeifer, Lukas,Médebielle, Maurice,Morphy, John Richard,Gouverneur, Véronique. "The dual role of thiourea in the thiotrifluoromethylation of alkenes". . p. 1195 - 1199. Retrieved 2017/02/10.
• 3、 Latypova,Parfenova,Lyapina. "Reduction of thiophenes in the presence of sulfuric acid and zinc". experimental part. p. 1078 - 1084. Retrieved 2012/03/27.