2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane

Base Information

Chemical Name:2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane
CAS No.:86239-97-6
Molecular Formula:C₁₁H₁₇NS
Molecular Weight:195.329
Hs Code.:2930909899
European Community (EC) Number:691-757-1
DSSTox Substance ID:DTXSID80380650
Mol file:86239-97-6.mol

Synonyms:86239-97-6;2-isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane;Bicyclo[2.2.1]heptane, 2-isothiocyanato-2,3,3-trimethyl-;2,3,3-Trimethyl-2-norbornyl Isothiocyanic Acid Ester;DTXSID80380650;JPUCWJZXLGZCHP-UHFFFAOYSA-N;AKOS030255786;FT-0675629

Suppliers and Price of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
2,3,3-Trimethyl-2-norbornylIsothiocyanicAcidEster
1g
$ 1190.00

TRC
2,3,3-Trimethyl-2-norbornylIsothiocyanicAcidEster
100mg
$ 150.00

Medical Isotopes, Inc.
2,3,3-Trimethyl-2-norbornylIsothiocyanicAcidEster
1 g
$ 2200.00

American Custom Chemicals Corporation
2,3,3-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL ISOTHIOCYANATE 95.00%
5MG
$ 502.01

Total 3 raw suppliers

Chemical Property of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane

Chemical Property:

Melting Point:83-85°C
Boiling Point:264.2±7.0 °C(Predicted)
PSA：44.45000
Density:1.12±0.1 g/cm3(Predicted)
LogP:3.30400
Storage Temp.:-20°C Freezer
Solubility.:Acetone (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly)
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:195.10817072
Heavy Atom Count:13
Complexity:278

Purity/Quality:: 2,3,3-Trimethyl-2-norbornylIsothiocyanicAcidEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2CCC(C2)C1(C)N=C=S)C
Uses Intermediate in the preparation of Mecamylamine (M202600).

Technology Process of 2-Isothiocyanato-2,3,3-trimethylbicyclo[2.2.1]heptane

There total 5 articles about 2-Isothiocyanato-2,3,3-trimethylbicyclo[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:

: 565-00-4
dl-camphene

: 86239-97-6
(+/-)-2,3,3-trimethyl-[2exo]norbornyl isothiocyanate

Guidance literature:: With sulfuric acid;
DOI:10.1021/jo01118a027

Reference yield:

: 86351-88-4
(+/-)-N-(2,3,3-trimethyl-[2exo]norbornyl)-formamide

: 86239-97-6
(+/-)-2,3,3-trimethyl-[2exo]norbornyl isothiocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: NaOH

With sodium hydroxide;
DOI:10.1021/jo01118a027

Reference yield:

: 565-00-4
dl-camphene

: 86239-97-6
(+/-)-2,3,3-trimethyl-[2exo]norbornyl isothiocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: H₂SO₄

2: NaOH

With sodium hydroxide; sulfuric acid;
DOI:10.1021/jo01118a027