Diethylthiambutene

Base Information

• Chemical Name: Diethylthiambutene
• CAS No.: 86-14-6
• Molecular Formula: C16H21 N S2
• Molecular Weight: 291.481
• Hs Code.: 2934999090
• UNII: 2Z91X9052O
• DSSTox Substance ID: DTXSID30861666
• Nikkaji Number: J4.934D
• Wikipedia: Diethylthiambutene
• Wikidata: Q5275150
• NCI Thesaurus Code: C77287
• Metabolomics Workbench ID: 146181
• ChEMBL ID: CHEMBL2106573
• Mol file: 86-14-6.mol

Synonyms:diethibutin;diethylthiambutene;Grapon;N,N-diethyl-1-methyl-3,3-di-thienylallyl-amine;Themalon;thiambutene;thiambutene hydrochloride

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Chemical Property of Diethylthiambutene

Chemical Property:

• Vapor Pressure: 1.36E-06mmHg at 25°C
• Boiling Point: 399.5°C at 760 mmHg
• PKA: 8.99±0.25(Predicted)
• Flash Point: 195.4°C
• PSA: 59.72000
• Density: 1.095g/cm³
• LogP: 4.97160
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 291.11154202
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(C)C=C(C1=CC=CS1)C2=CC=CS2
• Uses: Diethylthiambutene is an opioid analgesic drug used in veterinary medicine as an anesthetic.

Technology Process of Diethylthiambutene

There total 2 articles about Diethylthiambutene 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:

(R)-3-aminobutanoic acid (3775-73-3) → (R)-diethyl-(1-methyl-3,3-di-[2]thienyl-allyl)-amine (86-14-6)

Guidance literature:

ueber (R)-3-Diaethylamino-buttersaeure, (R)-3-Diaethylamino-buttersaeure-aethylester und (R)-3-Diaethylamino-1,1-di-<2>thienyl-butan-1-ol dargestellt;

DOI:10.1039/jr9550000900

Reference yield:

→ (+/-)-diethyl-(1-methyl-3,3-di-[2]thienyl-allyl)-amine (86-14-6)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9500000885

upstream raw materials:

(R)-3-aminobutanoic acid