(R)-(+)-1,1,1-Trifluoroheptan-2-ol

Base Information

Chemical Name:(R)-(+)-1,1,1-Trifluoroheptan-2-ol
CAS No.:175840-70-7
Molecular Formula:C₇H₁₃F₃O
Molecular Weight:170.175
Hs Code.:
European Community (EC) Number:621-554-5
Nikkaji Number:J3.440.638C
Wikidata:Q76149050
Mol file:175840-70-7.mol

Synonyms:175840-70-7;(R)-(+)-1,1,1-Trifluoroheptan-2-ol;(2R)-1,1,1-trifluoroheptan-2-ol;(R)-1,1,1-Trifluoroheptan-2-ol;(R)-(+)-1 1 1-TRIFLUOROHEPTAN-2-OL 97;2-Heptanol, 1,1,1-trifluoro-, (2R)-;SCHEMBL8535016;YFVHSPAONQXAIB-ZCFIWIBFSA-N;(R)-1,1,1-Trifluoroheptane-2-ol;(R)-(+)-1,1,1-Trifluoroheptan-2-ol, 97%;J-011137

Suppliers and Price of (R)-(+)-1,1,1-Trifluoroheptan-2-ol

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

American Custom Chemicals Corporation
(R)-(+)-1,1,1-TRIFLUOROHEPTAN-2-OL 95.00%
1G
$ 719.41

Total 3 raw suppliers

Chemical Property of (R)-(+)-1,1,1-Trifluoroheptan-2-ol

Chemical Property:

Vapor Pressure:0.474mmHg at 25°C
Refractive Index:n20/D 1.375(lit.)
Boiling Point:170.3°Cat760mmHg
PKA:12.67±0.20(Predicted)
Flash Point:80.4°C
PSA：20.23000
Density:1.074g/cm³
LogP:2.48990
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:170.09184952
Heavy Atom Count:11
Complexity:100

Purity/Quality:

97% ^*data from raw suppliers

(R)-(+)-1,1,1-TRIFLUOROHEPTAN-2-OL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R10:;
Hazard Codes:R10:;
Statements: 10

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCCC(C(F)(F)F)O
Isomeric SMILES:CCCCC[C@H](C(F)(F)F)O

Technology Process of (R)-(+)-1,1,1-Trifluoroheptan-2-ol

There total 8 articles about (R)-(+)-1,1,1-Trifluoroheptan-2-ol 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: 83.0%

: 606494-26-2
1,1,1-trifluoroheptan-2-yl 2-chloroacetate

: (R)-1,1,1-trifluoroheptan-2-yl 2-chloroacetate

: (S)-1,1,1-trifluoroheptan-2-yl 2-chloroacetate

: 175840-70-7
(R)-1,1,1-trifluoroheptan-2-ol

Guidance literature:: With Lipase MY; In aq. phosphate buffer; at 37 ℃; pH=7.28; Enzymatic reaction;
DOI:10.1016/j.tetlet.2015.09.073

Reference yield:

: 606494-26-2
1,1,1-trifluoroheptan-2-yl 2-chloroacetate

: 175840-70-7
(R)-1,1,1-trifluoroheptan-2-ol

Guidance literature:: With sodium hydroxide; potassium dihydrogenphosphate; lipase MY (from Candida rugosa); at 38 ℃; for 6h; Yield given;
DOI:10.1016/S0022-1139(97)00026-2

Reference yield:

: 453-41-8
1,1,1-trifluoro-2-heptanone

: 175840-70-7
(R)-1,1,1-trifluoroheptan-2-ol

Guidance literature:: Multi-step reaction with 3 steps

1: NaBH₄ / H₂O; diethyl ether / Ambient temperature

2: pyridine / CH₂Cl₂

3: lipase MY (from Candida rugosa), aq. KH₂PO₄, NaOH / 6 h / 38 °C

With pyridine; sodium hydroxide; sodium tetrahydroborate; potassium dihydrogenphosphate; lipase MY (from Candida rugosa); In diethyl ether; dichloromethane; water;
DOI:10.1016/S0022-1139(97)00026-2