1-Nonen-3-ol

Base Information

• Chemical Name: 1-Nonen-3-ol
• CAS No.: 21964-44-3
• Deprecated CAS: 79605-61-1
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• Hs Code.: 2905290000
• European Community (EC) Number: 244-686-1
• NSC Number: 102782
• UNII: 0GKA6U7Q9G
• DSSTox Substance ID: DTXSID30865023
• Nikkaji Number: J110.599J
• Wikidata: Q27236759
• Metabolomics Workbench ID: 3362
• Mol file: 21964-44-3.mol

Synonyms:1-Nonen-3-ol;21964-44-3;Non-1-en-3-ol;Hexylvinylcarbinol;1-Vinylheptanol;delta1-nonen-3-ol;nonene-1-ol-3;3-Hydroxy-1-nonene;Hexyl vinyl carbinol;1-Nonene-3-ol;0GKA6U7Q9G;NSC 102782;NSC-102782;NSC102782;1-Nonen-3 ol;UNII-0GKA6U7Q9G;SCHEMBL148996;DWUPJMHAPOQKGJ-UHFFFAOYSA-;DTXSID30865023;CHEBI:179597;WAA96444;EINECS 244-686-1;LMFA05000504;MFCD00021953;(+/-)-1-NONEN-3-OL;AKOS009156593;1-NONEN-3-OL, (+/-)-;CS-0449661;FT-0608165;N0451;D91710;J-014376;Q27236759;(4-DIMETHYLAMINO-PHENYL)-PHOSPHONICACIDDIETHYLESTER

Chemical Property of 1-Nonen-3-ol

Chemical Property:

• Appearance/Colour: CLEAR COLOURLESS LIQUID
• Vapor Pressure: 0.124mmHg at 25°C
• Melting Point: -7°C (estimate)
• Refractive Index: 1.438-1.444
• Boiling Point: 193.2 °C at 760 mmHg
• PKA: 14.63±0.20(Predicted)
• Flash Point: 69.5 °C
• PSA: 20.23000
• Density: 0.836 g/cm³
• LogP: 2.50370
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 78.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Nonen-3-ol >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C=C)O

Technology Process of 1-Nonen-3-ol

There total 38 articles about 1-Nonen-3-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: 100.0%

heptanal (111-71-7) + vinyl magnesium bromide (1826-67-1) → non-1-en-3-ol (21964-44-3,79605-61-1)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; Inert atmosphere;

DOI:10.15227/orgsyn.068.0210

Reference yield: 92.0%

1-Iodohexane (638-45-9) + acrolein (107-02-8,25068-14-8) → non-1-en-3-ol (21964-44-3,79605-61-1)

Guidance literature:

1-Iodohexane; With iodine; magnesium; In diethyl ether; for 0.333333h; Inert atmosphere; Reflux;

acrolein; In diethyl ether; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201700620

Reference yield: 89.0%

1-Nitro-2-[((Z)-non-2-enyl)selanyl]-benzene (398136-79-3) → non-1-en-3-ol (21964-44-3,79605-61-1)

Guidance literature:

1-Nitro-2-[((Z)-non-2-enyl)selanyl]-benzene; With Cumene hydroperoxide; 4 A molecular sieve; vanadyl acetylacetonate; In dichloromethane; at -10 ℃; for 0.5h;

With tributylphosphine; In dichloromethane; at -10 ℃; for 0.0833333h;

DOI:10.1039/b316502g

upstream raw materials:

n-hexylmagnesium bromide

acrolein

heptanal

chloroethylene

Downstream raw materials:

(1E)-1-phenylnon-1-en-3-ol

1-phenyl-nonan-3-one

(S)-1-nonen-3-ol

(R)-non-1-en-3-ol

Refernces

• 1、 Kraft,Spiteller. "". . p. 617,622,623,625. Retrieved 1968.
• 2、 Hu, Lin,Li, Jialin,Li, Xuemin,Xu, Qianlan. "Annulation-retro-Claisen cascade of bifunctional peroxides for the synthesis of lactone natural products". supporting information. p. 274 - 277. Retrieved 2022/01/03.
• 3、 Fragkiadakis, Michael,Kidonakis, Marios,Stratakis, Manolis. "β-Borylation of conjugated carbonyl compounds with silylborane or bis(pinacolato)diboron catalyzed by Au nanoparticles". supporting information. p. 8921 - 8927. Retrieved 2020/11/23.