2,3-Dimethyl-1-pentanol

Base Information

• Chemical Name: 2,3-Dimethyl-1-pentanol
• CAS No.: 10143-23-4
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• Hs Code.: 2905199090
• NSC Number: 103151
• UNII: W7L86741YC
• DSSTox Substance ID: DTXSID1025142
• Nikkaji Number: J34.527J
• Wikidata: Q27292438
• Mol file: 10143-23-4.mol

Synonyms:2,3-DIMETHYL-1-PENTANOL;10143-23-4;2,3-dimethylpentan-1-ol;1-Pentanol, 2,3-dimethyl-;2,3-Dimethylpentanol;HSDB 6025;1-Pentanol, 2,3-dimethyl-, (3S)-(-)-;NSC 103151;CCRIS 6023;BRN 1731660;W7L86741YC;NSC-103151;4-01-00-01752 (Beilstein Handbook Reference);1-Pentanol,3-dimethyl-;SCHEMBL115039;UNII-W7L86741YC;DTXSID1025142;MIBBFRQOCRYDDB-UHFFFAOYSA-;WLN: Q1Y1&Y2&1;2,3-DIMETHYLPENTANOL [HSDB];LS-350;MFCD00046765;NSC103151;2,3-Dimethyl-1-pentanol, AldrichCPR;AKOS006228414;1-Pentanol,3-dimethyl-, (3S)-(-)-;2,3-Dimethyl-1-pentanol, threo + erythro;FT-0729670;EN300-1243717;Q27292438

Chemical Property of 2,3-Dimethyl-1-pentanol

Chemical Property:

• Vapor Pressure: 1.28mmHg at 25°C
• Melting Point: -30.45°C (estimate)
• Refractive Index: 1.4290
• Boiling Point: 152.7°Cat760mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 51.6°C
• PSA: 20.23000
• Density: 0.816g/cm³
• LogP: 1.66090
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 52.3

Purity/Quality:

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

2,3-Dimethyl-1-pentanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38-41
• Safety Statements: 16-26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(C)C(C)CO

Technology Process of 2,3-Dimethyl-1-pentanol

There total 8 articles about 2,3-Dimethyl-1-pentanol 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:

methanol (67-56-1) + 3-methylpentane (96-14-0) → 2-Methyl-2-ethyl-1-butanol (18371-13-6) + 2,3-Dimethyl-1-pentanol (10143-23-4) + dimethyl-3,4 diethyl-3,4 hexane (62184-97-8) + ethylene glycol (107-21-1)

Guidance literature:

With mercury; for 72h; Yield given. Yields of byproduct given; Heating; Irradiation;

DOI:10.1021/ja00190a032

Reference yield:

(S)-2-methylbutyl chloride (40560-29-0) → (+)-3S-2,3-Dimethyl-pentanol-1 (10143-23-4,19138-83-1,111675-79-7)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) Mg, Et₂O, (ii) /BRN= 605384/

2: Me₂NH*HCl / H₂O / Heating

3: LiAlH₄, H₂, Raney-Ni

With lithium aluminium tetrahydride; hydrogen; N,N-dimethylammonium chloride; nickel; In water;

DOI:10.1016/S0040-4020(01)82117-7

Reference yield:

(S)-3-methyl-1-pentanol (42072-39-9) → (+)-3S-2,3-Dimethyl-pentanol-1 (10143-23-4,19138-83-1,111675-79-7)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. K₂Cr₂O₇, H₂SO₄

2: Me₂NH*HCl / H₂O / Heating

3: LiAlH₄, H₂, Raney-Ni

With potassium dichromate; lithium aluminium tetrahydride; sulfuric acid; hydrogen; N,N-dimethylammonium chloride; nickel; In water;

DOI:10.1016/S0040-4020(01)82117-7

upstream raw materials:

2-sec-butyl-2-methyl-oxirane

methanol

3-methylpentane

(S)-2-methylene-3-methylpentanal