(S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine

Base Information

• Chemical Name: (S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine
• CAS No.: 196597-81-6
• Molecular Formula: C₁₃H₁₇NO
• Molecular Weight: 203.284
• Hs Code.: 2932999099
• UNII: SCW5CB6ZZW
• DSSTox Substance ID: DTXSID601194448
• Nikkaji Number: J1.672.116F
• Mol file: 196597-81-6.mol

Synonyms:196597-81-6;(S)-2-(2,6,7,8-tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethanamine;(S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine;SCW5CB6ZZW;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethanamine;(8S)-1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-ethanamine;2H-Indeno[5,4-b]furan-8-ethanamine,1,6,7,8-tetrahydro-,(8S)-;(8S)-1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-ethanamine;UNII-SCW5CB6ZZW;DESPROPIONYL RAMELTEON;SCHEMBL340075;BFNUHWYOQCGTCA-JTQLQIEISA-N;DTXSID601194448;AMY18503;AKOS015901673;AC-27742;A4303;(8S)-1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-ethaneamine;(S)-N-2-(1,6,7,8-tetrahydro-2H-indeno [5,4-b] furan-8-yl) ethylamine;2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethanamine;2H-INDENO(5,4-B)FURAN-8-ETHANAMINE, 1,6,7,8-TETRAHYDRO-, (8S)-

Chemical Property of (S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 329.637 °C at 760 mmHg
• PKA: 10.27±0.10(Predicted)
• Flash Point: 156.769 °C
• PSA: 35.25000
• Density: 1.13 g/cm³
• LogP: 2.70040
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

99.9% ^*data from raw suppliers

(S)-2-(2,6,7,8-Tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C1CCN)C3=C(C=C2)OCC3
• Isomeric SMILES: C1CC2=C([C@@H]1CCN)C3=C(C=C2)OCC3

Technology Process of (S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine

There total 60 articles about (S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylamine 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: 98.0%

N-tert-butoxycarbonyl-1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylethylamine → 2?(1,6,7,8?tetrahydro?2H?indeno[5,4?b]furan?8?yl)?1?ethylamine (448964-37-2,196597-81-6)

Guidance literature:

With methanol; methanesulfonic acid; calcium chloride; at 25 ℃; for 5h; Concentration; Reagent/catalyst; Temperature;

Reference yield: 95.0%

[(2E)-2-(1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)ethyl]amine → (S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)-ethylamine (196597-81-6)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; (R)-1-[(S)-2-(di-2-furylphosphino)ferrocenyl]ethyldi(tert-butyl)phosphine; hydrogen; In methanol; at 20 ℃; for 5h; under 5250.53 Torr; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1246/cl.2009.100

Reference yield: 81.0%

(E)-2-(1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)acetonitrile (196597-79-2) → 2?(1,6,7,8?tetrahydro?2H?indeno[5,4?b]furan?8?yl)?1?ethylamine (448964-37-2,196597-81-6)

Guidance literature:

With ammonia; hydrogen; nickel; at 40 ℃; under 3600.36 Torr;

DOI:10.1021/jm0201159

upstream raw materials:

(E)-2-(1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)acetonitrile

2.3-dihydrobenzofuran

2,3-dihydro-benzofuran-5-carbaldehyde

ethyl (E)-3-(2,3-dihydrobenzofuran-5-yl)-2-propenoate

Downstream raw materials:

ramelteon

N-[2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]propionamide

N-[2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethyl]acetylamide

Refernces

• 1、 -. "A process for the preparation of key intermediate lei meiti amine, its preparation and use". . . Retrieved 2020/02/07.
• 2、 -. "Preparation of 2 - (1, 6, 7, 8 - tetrahydro - 2H - indenyl and [5, 4 - b] furan - 8 - subunit of ethylamine". Paragraph 0051-0068. . Retrieved 2017/08/25.