1-(Trifluoromethyl)adamantane

Base Information

Chemical Name:1-(Trifluoromethyl)adamantane
CAS No.:40556-44-3
Molecular Formula:C11H15F3
Molecular Weight:204.23
Hs Code.:2903890090
DSSTox Substance ID:DTXSID40508510
Nikkaji Number:J2.836.104A
Wikidata:Q82365488
Mol file:40556-44-3.mol

Synonyms:1-(trifluoromethyl)adamantane;40556-44-3;Trifluoromethyl adamantane;Trifluoromethyl-adamantane;SCHEMBL890623;AMY3061;DTXSID40508510;IAALDLKZSIOJBP-UHFFFAOYSA-N;AKOS005762893;FT-0654307;A825166;1-(Trifluoromethyl)tricyclo[3.3.1.1~3,7~]decane

Suppliers and Price of 1-(Trifluoromethyl)adamantane

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

Matrix Scientific
1-(Trifluoromethyl)adamantane 95+%
250mg
$ 189.00

Matrix Scientific
1-(Trifluoromethyl)adamantane 95+%
1g
$ 420.00

American Custom Chemicals Corporation
TRIFLUOROMETHYL-ADAMANTANE 95.00%
10G
$ 1334.03

American Custom Chemicals Corporation
TRIFLUOROMETHYL-ADAMANTANE 95.00%
5G
$ 909.56

AK Scientific
Trifluoromethyladamantane
250mg
$ 305.00

Total 27 raw suppliers

Chemical Property of 1-(Trifluoromethyl)adamantane

Chemical Property:

Boiling Point:188.1±35.0 °C(Predicted)
PSA：0.00000
Density:1.220±0.06 g/cm3(Predicted)
LogP:3.76510
XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:204.11258496
Heavy Atom Count:14
Complexity:213

Purity/Quality:

99% ^*data from raw suppliers

1-(Trifluoromethyl)adamantane 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CC3CC1CC(C2)(C3)C(F)(F)F

Technology Process of 1-(Trifluoromethyl)adamantane

There total 7 articles about 1-(Trifluoromethyl)adamantane 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: 58.0%

: 828-51-3
1-Adamantanecarboxylic acid

: 40556-44-3
1-(trifluoromethyl)adamantane

: 40556-45-4
1-fluoro-3-(trifluoromethyl)adamantane

Guidance literature:: With sulfur tetrafluoride; In water; at 180 ℃; for 40h;
DOI:10.1002/jlac.198519850315

Reference yield: 31.0%

: 10405-61-5
(3r,5r,7r)-adamantane-1-carbonyl fluoride

: 40556-44-3
1-(trifluoromethyl)adamantane

Guidance literature:: With 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride; pyridine hydrofluoride; In neat (no solvent); at 70 ℃; for 24h; Sealed tube;
DOI:10.3762/BJOC.16.254