3-Penten-1-ol, (3E)-

Base Information

• Chemical Name: 3-Penten-1-ol, (3E)-
• CAS No.: 764-37-4
• Molecular Formula: C5H10 O
• Molecular Weight: 86.1338
• European Community (EC) Number: 212-118-1,609-614-9
• DSSTox Substance ID: DTXSID30883565
• Nikkaji Number: J126.440K,J102.081A
• Mol file: 764-37-4.mol

Synonyms:3-Penten-1-ol, (3E)-;764-37-4;(E)-Pent-3-en-1-ol;3-Penten-1-ol;Oxy-3-pentene;pent-3-en-1-ol;trans-3-Pentenol-1;39161-19-8;3-pentenol;3-Penten-1-ol, (E)-;(3E)-PENT-3-EN-1-OL;EINECS 212-118-1;(E)-3-Penten-1-ol;(3E)-3-Penten-1-ol;DTXSID30883565;AKOS006282973;CS-0162245;E75910;EN300-303351;EN300-2008180;A848880

Chemical Property of 3-Penten-1-ol, (3E)-

Chemical Property:

• Vapor Pressure: 7.96mmHg at 25°C
• Boiling Point: 119°C at 760 mmHg
• PKA: 15.04±0.10(Predicted)
• Flash Point: 43.4°C
• PSA: 20.23000
• Density: 0.842g/cm³
• LogP: 0.94490
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 86.073164938
• Heavy Atom Count: 6
• Complexity: 39.2

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCO
• Isomeric SMILES: C/C=C/CCO
• Uses: (E)-3-Penten-1-ol is an odor standard with grassy, green-fresh smell. Identified in Parmigiano Reggiano cheese.Useful building block for related esters, also odor standards.

Technology Process of 3-Penten-1-ol, (3E)-

There total 49 articles about 3-Penten-1-ol, (3E)- 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: 99.0%

pent-1-yn-5-ol (5390-04-5) → (E)-3-penten-1-ol (764-37-4)

Guidance literature:

With water; ruthenium hydroxyapatite; at 80 ℃; for 24h; Further Variations:; Catalysts; Product distribution;

DOI:10.1002/ejic.200300562

Reference yield: 97.0%

n-Pent-4-enyl alcohol (821-09-0) → (E)-3-penten-1-ol (764-37-4)

Guidance literature:

With C₂₄H₄₂N₂PRu⁽¹⁺⁾*F₆P^(1-); In [⁽²⁾H₆]acetone; at 20 ℃; for 0.75h; stereoselective reaction;

DOI:10.1021/acscatal.8b04345

Reference yield: 96.0%

(E)-3-pentenoic acid (1617-32-9) → (E)-3-penten-1-ol (764-37-4)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/asia.201100251

upstream raw materials:

2-methyl-3-chlorotetrahydrofuran

4-methyl-4-(tetrahydro-2-pyranyloxy)-2-butyn-1-ol

methyl (E)-pent-3-enoate

pent-3-yn-1-ol

Downstream raw materials:

5-chloropent-2-ene

pentan-1-ol

pentanal

4-methylhexan-1-ol

Refernces

• 1、 Moret, Etienne,Schlosser, Manfred. "SOLVENT-CONTROLLED ADDITIONS OF ORGANOTITANIUM REAGENTS TO OLEFINIC DOUBLE BONDS". . p. 4423 - 4426. Retrieved 1985.
• 2、 Hoshino, Yoshihiko,Iwabuchi, Yoshiharu,Kuriyama, Yuse,Sasano, Yusuke,Uesugi, Shun-ichiro,Yamaichi, Aoto. "Highly Regioselective 5-endo-tet Cyclization of 3,4-Epoxy Amines into 3-Hydroxypyrrolidines Catalyzed by La(OTf)3". supporting information. p. 1961 - 1965. Retrieved 2021/01/04.
• 3、 Paulson, Erik R.,Moore, Curtis E.,Rheingold, Arnold L.,Pullman, David P.,Sindewald, Ryan W.,Cooksy, Andrew L.,Grotjahn, Douglas B.. "Dynamic ?-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp Ru(2-P, N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes". . p. 7217 - 7231. Retrieved 2019/08/27.