2-Isothiocyanatobicyclo[2.2.1]heptane

Base Information

• Chemical Name: 2-Isothiocyanatobicyclo[2.2.1]heptane
• CAS No.: 14370-23-1
• Molecular Formula: C8H11 N S
• Molecular Weight: 153.248
• Hs Code.: 2930909090
• European Community (EC) Number: 242-405-7,604-375-7
• DSSTox Substance ID: DTXSID30939955
• Mol file: 14370-23-1.mol

Synonyms:2-Isothiocyanatobicyclo[2.2.1]heptane;14370-23-1;2-Isothiocyanato-bicyclo[2.2.1]heptane;18530-33-1;EXO-BICYCLO[2.2.1]HEPT-2-YL ISOTHIOCYANATE;Bicyclo[2.2.1]hept-2-yl isothiocyanate;EINECS 242-405-7;exo-Bicyclo(2.2.1)hept-2-yl isothiocyanate;Bicyclo[2.2.1]heptane, 2-isothiocyanato-, exo-;Bicyclo(2.2.1)heptane, 2-isothiocyanato-, exo-;(1S,2S,4R)-2-isothiocyanatobicyclo[2.2.1]heptane;SCHEMBL1538266;DTXSID30939955;BBL033472;MFCD00673182;STK802072;AKOS000120811;AKOS017278290;SB74090;PS-10304;2-Isothiocyanatobicyclo[2.2.1]heptane #;FT-0622952;EN300-20884

Chemical Property of 2-Isothiocyanatobicyclo[2.2.1]heptane

Chemical Property:

• Vapor Pressure: 0.037mmHg at 25°C
• Melting Point: 27-30 °C(lit.)
• Refractive Index: n20/D 1.553(lit.)
• Boiling Point: 81-83 °C2 mm Hg(lit.)
• Flash Point: 226 °F
• PSA: 44.45000
• Density: 1.304g/cm³
• LogP: 2.27780
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.06122053
• Heavy Atom Count: 10
• Complexity: 184

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-isothiocyanatobicyclo[2.2.1]heptane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC1CC2N=C=S

Technology Process of 2-Isothiocyanatobicyclo[2.2.1]heptane

There total 8 articles about 2-Isothiocyanatobicyclo[2.2.1]heptane 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: 92.0%

norborn-2-ene (498-66-8) + thiocyanic acid (463-56-9) → 2-Norbornyl-isothiocyanat (14370-23-1)

Guidance literature:

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

Reference yield: 87.0%

norborn-2-ene (498-66-8) + potassium thioacyanate (333-20-0) → 2-Norbornyl-isothiocyanat (14370-23-1)

Guidance literature:

With sulfuric acid; In water; benzene; at 35 - 40 ℃; for 5h;

DOI:10.1016/j.poly.2021.115545

Reference yield: 85.0%

norbornene (498-66-8) + ammonium thiocyanate → exo-Bicyclo<2.2.1>heptan-2-yl isothiocyanate (14370-23-1,18530-33-1,24326-26-9,27743-83-5,78940-75-7,78940-77-9)

Guidance literature:

With sulfuric acid; In water; at 40 ℃; for 3h;

DOI:10.1021/op9002328

upstream raw materials:

norborn-2-ene

thiocyanic acid

potassium thioacyanate

carbon disulfide

Downstream raw materials:

exo-2-isocyanatonorbornane

exo-2-aminonorbornane

Norbornylamine