2,2-Dimethyl-3-pentanol

Base Information

• Chemical Name: 2,2-Dimethyl-3-pentanol
• CAS No.: 3970-62-5
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• Hs Code.: 29051900
• European Community (EC) Number: 223-592-4
• NSC Number: 42943
• UNII: LR5O1LPM79
• DSSTox Substance ID: DTXSID0032813
• Nikkaji Number: J130.727D
• Wikidata: Q27283145
• ChEMBL ID: CHEMBL1511411
• Mol file: 3970-62-5.mol

Synonyms:2,2-DIMETHYL-3-PENTANOL;3970-62-5;2,2-Dimethylpentan-3-ol;3-Pentanol, 2,2-dimethyl-;UNII-LR5O1LPM79;LR5O1LPM79;DTXSID0032813;EINECS 223-592-4;NSC 42943;NSC-42943;NSC42943;3-Pentanol,2-dimethyl-;tert-Butyl ethyl carbinol;MLS001055313;SCHEMBL195589;CHEMBL1511411;DTXCID8012813;HMSVXZJWPVIVIV-UHFFFAOYSA-;HMS3039N13;2,2-Dimethyl-3-pentanol, 97%;Tox21_201174;MFCD00004566;AKOS009156941;NCGC00090937-01;NCGC00090937-02;NCGC00258726-01;AS-81267;SMR000673561;CAS-3970-62-5;(+/-)-2,2-DIMETHYL-3-PENTANOL;J130.727D;CS-0132258;FT-0610157;E81575;EN300-223424;Q27283145

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

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 2.83mmHg at 25°C
• Melting Point: -70 °C
• Refractive Index: n20/D 1.425(lit.)
• Boiling Point: 139-140 °C(lit.)
• Flash Point: 38.3 °C
• PSA: 20.23000
• Density: 0.829 g/mL at 25 °C(lit.)
• LogP: 1.80340
• Storage Temp.: Flammables area
• Water Solubility.: 8.13g/L(25 oC)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 61.3

Purity/Quality:

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

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C(C)(C)C)O

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

There total 23 articles about 2,2-Dimethyl-3-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: 86.0%

tert.-butyl lithium (594-19-4) + propionaldehyde (123-38-6) → 2,2-dimethyl-3-pentanol (3970-62-5)

Guidance literature:

In diethyl ether; pentane; at -10 - 20 ℃; for 0.333333h;

DOI:10.1021/jo00246a032

Reference yield: 86.0%

diethylzinc (557-20-0) + pivalaldehyde (630-19-3) → 2,2-dimethyl-3-pentanol (3970-62-5)

Guidance literature:

5-Deoxy-1,2-O-isopropylidene-5-morpholino-α-D-xylofuranose; In toluene; for 24h; Ambient temperature;

DOI:10.1016/S0040-4039(00)73127-3

Reference yield: 70.0%

triethyl borane (97-94-9) + pivalaldehyde (630-19-3) → 2,2-dimethyl-3-pentanol (3970-62-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; N,N-dimethyl-formamide; for 6h; Ambient temperature; electrolysis with Pt/Cu electrodes;

DOI:10.1016/S0040-4039(98)00915-0

upstream raw materials:

ethylmagnesium iodide

2,2-dimethyl-propanoic acid ethyl ester

diethyl ether

Methyl pivalate

Downstream raw materials:

Mono(2,2-dimethyl-1-ethylpropyl)phthalate

2,3-dimethylpent-1-ene

4,4-dimethyl-pent-2-ene

2,3-dimethylpent-2-ene

Refernces

• 1、 Gay,Becker. "". . p. 431. Retrieved 1951.
• 2、 Sparling, Brian A.,Moslin, Ryan M.,Jamison, Timothy F.. "Sml2-promoted reformatsky-type coupling reactions in exceptionally hindered contexts". supporting information; experimental part. p. 1291 - 1294. Retrieved 2009/04/08.
• 3、 Cho, Byung Tae,Kim, Namdu. "Enantioselective addition of diethylzinc to aldehydes using γ-aminoalcohols derived from α-D-xylose as new chiral catalysts". . p. 4115 - 4118. Retrieved 2007/10/02.