5,6,7,8,9,10-Hexahydrocyclohepta[b]indole

Base Information

• Chemical Name: 5,6,7,8,9,10-Hexahydrocyclohepta[b]indole
• CAS No.: 2047-89-4
• Molecular Formula: C13H15N
• Molecular Weight: 185.26
• Hs Code.: 2933990090
• NSC Number: 73038
• DSSTox Substance ID: DTXSID10942649
• Nikkaji Number: J340.031J,J3.171.759K
• Wikidata: Q82919656
• Mol file: 2047-89-4.mol

Synonyms:5,6,7,8,9,10-Hexahydrocyclohepta[b]indole;2047-89-4;5H,6H,7H,8H,9H,10H-cyclohepta[b]indole;NSC73038;Cycloheptan[a]indole;5,6,7,8,9,10-Hexahydrocyclohept[b]indole;Cyclohept[b]indole,5,6,7,8,9,10-hexahydro-;NCIOpen2_000399;Cyclohept[b]indole, 5,6,7,8,9,10-hexahydro-;SCHEMBL11641810;DTXSID10942649;XZUJMYLNFZHNLP-UHFFFAOYSA-N;2,3-Cyclooctenoindole, AldrichCPR;?INDOLO(2,3-B)CYCLOHEPTENE;BBL028204;MFCD00101340;NSC-73038;STK795023;AKOS000276361;AS-65718;CS-0155303;FT-0733440;C73875;5,6,7,8,9,10-Hexahydrocyclohepta[b]indole #;6,7,8,9,10,10a-hexahydrocyclohepta[b]indole;AG-205/34696016;Z57469918

Chemical Property of 5,6,7,8,9,10-Hexahydrocyclohepta[b]indole

Chemical Property:

• Appearance/Colour: Crystalline powder
• Vapor Pressure: 0.00017mmHg at 25°C
• Melting Point: 140-142 °C
• Refractive Index: 1.639
• Boiling Point: 340.4 °C at 760 mmHg
• PKA: 17.84±0.20(Predicted)
• Flash Point: 148.3 °C
• PSA: 15.79000
• Density: 1.113 g/cm³
• LogP: 3.43680
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 185.120449483
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

99%, ^*data from raw suppliers

5,6,7,8,9,10-Hexahydrocyclohepta[b]indole 95+% ^*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)NC3=CC=CC=C23

Technology Process of 5,6,7,8,9,10-Hexahydrocyclohepta[b]indole

There total 2 articles about 5,6,7,8,9,10-Hexahydrocyclohepta[b]indole 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: 10.0%

methyllithium (917-54-4) + Spiroindole> (171-74-4) → 5,6,7,8,9,10-hexahydrocyclohept[b]indole (2047-89-4) + 2'-methylspiro[cyclohexane-1,3'-indoline] (97961-94-9)

Guidance literature:

In toluene; at 120 ℃; for 24h;

DOI:10.1246/cl.1985.427

Reference yield:

methyl magnesium iodide (917-64-6) + Spiroindole> (171-74-4) → 5,6,7,8,9,10-hexahydrocyclohept[b]indole (2047-89-4) + 2'-methylspiro[cyclohexane-1,3'-indoline] (97961-94-9)

Guidance literature:

With copper(I) chloride; In toluene; at 120 ℃; for 2h; Product distribution; investigation of effect on dilution and concentration;

DOI:10.1246/cl.1985.427

Reference yield: 99.0%

5,6,7,8,9,10-hexahydrocyclohept[b]indole (2047-89-4) + 2-benzylidene-N-tosylbenzofuran-3(2H)-imine → (+)-N-(2-((5,6,7,8,9,10-hexahydrocyclohepta[b]indol-3-yl)(phenyl)methyl)benzofuran-3-yl)-4-methylbenzenesulfonamide

Guidance literature:

With 4-hydroxy-2,6-bis(3,4,5-trifluorophenyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide; In 1,3,5-trimethyl-benzene; at 40 ℃; for 11h; enantioselective reaction;

DOI:10.1021/acs.orglett.0c04002

upstream raw materials:

methyl magnesium iodide

Spiroindole>

methyllithium

Downstream raw materials:

cycloheptindole

10a-(2-Nitro-phenylsulfanyl)-6,7,8,9,10,10a-hexahydro-cyclohepta[b]indole

C₂₃H₂₆N₂O₂

C₂₀H₁₈Cl₂N₂O₂

Refernces