(S)-(+)-1-Indanyl isothiocyanate

Base Information

• Chemical Name: (S)-(+)-1-Indanyl isothiocyanate
• CAS No.: 737000-84-9
• Molecular Formula: C₁₀H₉NS
• Molecular Weight: 175.254
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50426817
• Mol file: 737000-84-9.mol

Synonyms:(S)-(+)-1-Indanyl isothiocyanate;737000-84-9;(1S)-1-ISOTHIOCYANATO-2,3-DIHYDRO-1H-INDENE;DTXSID50426817;MFCD04039331

Chemical Property of (S)-(+)-1-Indanyl isothiocyanate

Chemical Property:

• Refractive Index: 1.6130
• Boiling Point: 309.5 °C at 760 mmHg
• Flash Point: 146.4 °C
• PSA: 44.45000
• Density: 1.16 g/cm³
• LogP: 2.77670
• Sensitive.: Moisture Sensitive
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.04557046
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C1N=C=S
• Isomeric SMILES: C1CC2=CC=CC=C2[C@H]1N=C=S

Technology Process of (S)-(+)-1-Indanyl isothiocyanate

There total 4 articles about (S)-(+)-1-Indanyl isothiocyanate 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: 99.0%

thiophosgene (463-71-8) + 2,3-dihydro-1H-inden-1-amine (34698-41-4) → 1-isothiocyanatoindane (71492-66-5,737000-84-9)

Guidance literature:

With potassium carbonate; In chloroform; water; at 20 ℃;

Reference yield: 70.0%

thiocyanic acid (463-56-9) + 1-indene (95-13-6) → 1-isothiocyanatoindane (71492-66-5,737000-84-9)

Guidance literature:

DOI:10.1016/S0040-4039(00)92512-7

Reference yield: 51.0%

trimethylsilyl isothiocyanate (2290-65-5) + INDANE (496-11-7) → 1-isothiocyanatoindane (71492-66-5,737000-84-9)

Guidance literature:

With tetra-n-butylammonium perchlorate; In 1,2-dichloro-ethane; at 20 ℃; for 6h; chemoselective reaction; Inert atmosphere; Electrochemical reaction;

DOI:10.1021/acs.orglett.2c00415

upstream raw materials:

trans-2-iodo-1-isothiocyanato-indan

thiocyanic acid

1-indene

thiophosgene

Refernces

• 1、 -. "CHEMICAL COMPOUNDS". Page/Page column 63. . Retrieved 2008/06/13.
• 2、 Cho, Cheon-Gyu,Posner, Gary H.. "ALKYL AND ARYL ISOTHIOCYANATES AS MASKED PRIMARY AMINES". . p. 3599 - 3602. Retrieved 2007/10/02.