4,5,5-Trifluoropent-4-en-1-ol

Base Information

• Chemical Name: 4,5,5-Trifluoropent-4-en-1-ol
• CAS No.: 109993-33-1
• Molecular Formula: C₅H₇F₃O
• Molecular Weight: 140.105
• Hs Code.: 2905590090
• European Community (EC) Number: 671-747-3
• DSSTox Substance ID: DTXSID80380716
• Nikkaji Number: J1.027.277G
• Mol file: 109993-33-1.mol

Synonyms:4,5,5-trifluoropent-4-en-1-ol;109993-33-1;4,5,5-trifluoro-4-penten-1-ol;MFCD00156073;4-Penten-1-ol,4,5,5-trifluoro-;SCHEMBL864873;DTXSID80380716;KCWCUTFIXVYRRV-UHFFFAOYSA-N;1H-AZEPIN-4-AMINE,HEXAHYDRO-;AKOS006229193;FT-0617123

Chemical Property of 4,5,5-Trifluoropent-4-en-1-ol

Chemical Property:

• Boiling Point: 149.5 °C at 760 mmHg
• PKA: 14.87±0.10(Predicted)
• Flash Point: 64.4 °C
• PSA: 20.23000
• Density: 1.185 g/cm³
• LogP: 1.83650
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 140.04489933
• Heavy Atom Count: 9
• Complexity: 107

Purity/Quality:

97% ^*data from raw suppliers

4,5,5-Trifluoropent-4-en-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=C(F)F)F)CO

Technology Process of 4,5,5-Trifluoropent-4-en-1-ol

There total 7 articles about 4,5,5-Trifluoropent-4-en-1-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: 70.0%

4,5-Dichloro-4,5,5-trifluoro pentanol (97915-27-0) → 4,5,5-trifluoro-4-ene-pentanol (109993-33-1)

Guidance literature:

With acetic anhydride; acetic acid; zinc; at 90 ℃; for 4h;

DOI:10.1016/S0022-1139(98)00251-6

Reference yield: 69.0%

trimethylene oxide (503-30-0) + trifluorovinyllithium (683-78-3) → 4,5,5-trifluoro-4-ene-pentanol (109993-33-1)

Guidance literature:

With boron trifluoride diethyl etherate; at -100 ℃; for 0.25h;

DOI:10.1016/0022-328X(88)89059-4

Reference yield: 66.0%

4-chloro-4,5,5-trifluoro-5-bromopentanol → 4,5,5-trifluoro-4-ene-pentanol (109993-33-1)

Guidance literature:

With acetic anhydride; acetic acid; zinc; In N,N-dimethyl-formamide; at 90 ℃; for 6h;

DOI:10.1016/S0022-1139(98)00280-2

upstream raw materials:

trimethylene oxide

trifluorovinyllithium

Chlorotrifluoroethylene

4,5-Dichloro-4,5,5-trifluoro pentanol

Downstream raw materials:

3-(4,5,5-trifluoropent-4-enyloxy)cyclohex-2-enone

6-bromo-1,1,2-trifluoro-1-hexene