9,10-Dihydro-2-methyl-4-(3-(methylamino)propylidene)-4H-benzo(5,6)cyclohepta(1,2-d)thiazole

Base Information

• Chemical Name: 9,10-Dihydro-2-methyl-4-(3-(methylamino)propylidene)-4H-benzo(5,6)cyclohepta(1,2-d)thiazole
• CAS No.: 100447-50-5
• Molecular Formula: C₁₇H₂₀N₂S
• Molecular Weight: 284.425
• Mol file: 100447-50-5.mol

Synonyms:BRN 0919757;4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-2-methyl-4-(3-(methylamino)propylidene)-;9,10-Dihydro-2-methyl-4-(3-(methylamino)propylidene)-4H-benzo(5,6)cyclohepta(1,2-d)thiazole;100447-50-5;LS-33816

Chemical Property of 9,10-Dihydro-2-methyl-4-(3-(methylamino)propylidene)-4H-benzo(5,6)cyclohepta(1,2-d)thiazole

Chemical Property:

• Vapor Pressure: 1.3E-07mmHg at 25°C
• Boiling Point: 430.4°Cat760mmHg
• Flash Point: 214.1°C
• Density: 1.176g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 284.13471982
• Heavy Atom Count: 20
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(S1)CCC3=CC=CC=C3C2=CCCNC
• Isomeric SMILES: CC1=NC\2=C(S1)CCC3=CC=CC=C3/C2=C\CCNC

Technology Process of 9,10-Dihydro-2-methyl-4-(3-(methylamino)propylidene)-4H-benzo(5,6)cyclohepta(1,2-d)thiazole

There total 6 articles about 9,10-Dihydro-2-methyl-4-(3-(methylamino)propylidene)-4H-benzo(5,6)cyclohepta(1,2-d)thiazole 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:

8,9-dihydro-7H-benzocycloheptene-5,6-dione 6-oxime (21413-70-7) → methyl-[3-(2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]thiazol-4-ylidene)-propyl]-amine (100447-50-5)

Guidance literature:

Multi-step reaction with 4 steps

1: acetic acid; acetic anhydride / 1 h / 85 °C

2: H₂S, KOtBu / dimethylformamide / 0.5 h / 25 °C

3: (i) Mg, THF, (ii) /BRN= 1214562/

4: Ac₂O

With hydrogen sulfide; potassium tert-butylate; acetic anhydride; In acetic anhydride; acetic acid; N,N-dimethyl-formamide;

DOI:10.1021/jm00258a018

Reference yield:

2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]oxazol-4-one (21413-71-8) → methyl-[3-(2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]thiazol-4-ylidene)-propyl]-amine (100447-50-5)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂S, KOtBu / dimethylformamide / 0.5 h / 25 °C

2: (i) Mg, THF, (ii) /BRN= 1214562/

3: Ac₂O

With hydrogen sulfide; potassium tert-butylate; acetic anhydride; In N,N-dimethyl-formamide;

DOI:10.1021/jm00258a018

Reference yield:

2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]thiazol-4-one (22801-69-0) → methyl-[3-(2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]thiazol-4-ylidene)-propyl]-amine (100447-50-5)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Mg, THF, (ii) /BRN= 1214562/

2: Ac₂O

With acetic anhydride;

DOI:10.1021/jm00258a018

upstream raw materials:

dimethyl-[3-((Z)-2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]thiazol-4-ylidene)-propyl]-amine

dimethyl-[3-((E)-2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]thiazol-4-ylidene)-propyl]-amine

2-methyl-9,10-dihydro-benzo[5,6]cyclohepta[1,2-d]thiazol-4-one

8,9-dihydro-7H-benzocycloheptene-5,6-dione 6-oxime