5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine

Base Information

• Chemical Name: 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
• CAS No.: 14292-44-5
• Molecular Formula: C8H12N2S
• Molecular Weight: 168.2593
• Hs Code.: 2934999090
• European Community (EC) Number: 802-959-8
• DSSTox Substance ID: DTXSID30402391
• Nikkaji Number: J3.113.110C
• Wikidata: Q82205794
• ChEMBL ID: CHEMBL1178745
• Mol file: 14292-44-5.mol

Synonyms:14292-44-5;5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;5,6,7,8-Tetrahydro-4H-cycloheptathiazol-2-ylamine;4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-amine;MFCD02663887;5,6,7,8-Tetrahydro-4H-cyclohepta[d]thiazol-2-amine;SCHEMBL1670074;CHEMBL1178745;DTXSID30402391;RTUODTFOELDCNI-UHFFFAOYSA-N;STK895055;AKOS000122802;MS-2904;BB 0217953;CS-0117223;FT-0677926;EN300-12473;E80230;AO-080/43379320;5,6,7,8-Tetrahydro-4H-cycloheptathiazole-2-amine;F2124-0450;5,6,7,8-Tetrahydro-4H-cyclohepta[d][1,3] thiazol-2-amine;5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamine;5,6,7,8-Tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine, AldrichCPR

Chemical Property of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 330.7 °C at 760 mmHg
• Flash Point: 153.8 °C
• PSA: 67.15000
• Density: 1.21 g/cm³
• LogP: 2.57540
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.07211956
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%min ^*data from raw suppliers

5,6,7,8-Tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(CC1)SC(=N2)N

Technology Process of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine

There total 6 articles about 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine 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: 39.43%

2-bromocycloheptanone (1056246-49-1) + thiourea (17356-08-0) → 5,6,7,8-tetrahydro-4H-cyclohepta(d)thiazol-2-amine (14292-44-5)

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1021/jm501934n

Reference yield: 37.0%

thiourea (17356-08-0) + cycloheptanone (502-42-1) → 5,6,7,8-tetrahydro-4H-cyclohepta(d)thiazol-2-amine (14292-44-5)

Guidance literature:

With iodine; at 110 ℃; for 12h;

DOI:10.1016/j.bmcl.2005.01.075

Reference yield:

2-Chlorocyclohexanone (822-87-7) → 5,6,7,8-tetrahydro-4H-cyclohepta(d)thiazol-2-amine (14292-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; Na₂CO₃ / 20 - 30 °C

With methanol; sodium carbonate;

DOI:10.1021/ja01178a075

upstream raw materials:

2-chlorocycloheptanone

thiourea

cycloheptanone

2-Chlorocyclohexanone

Downstream raw materials:

C₂₀H₂₅FN₄OS

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