2-Methylpropan-2-(2H)ol

Base Information

• Chemical Name: 2-Methylpropan-2-(2H)ol
• CAS No.: 3972-25-6
• Molecular Formula: C4H9 D O
• Molecular Weight: 75.1149
• European Community (EC) Number: 223-597-1
• DSSTox Substance ID: DTXSID50192803
• Nikkaji Number: J217.801J
• Wikidata: Q83065462
• Mol file: 3972-25-6.mol

Synonyms:3972-25-6;2-Methylpropan-2-(2H)ol;2-Methyl-2-propan(ol-d);2-deuteriooxy-2-methylpropane;Tert-butyl Alcohol-OD;EINECS 223-597-1;2-Propanol, 2-methyl-d;2-methylpropan-2-[2H]ol;tert-Butanol-OD;tert-butan(ol-d);tert-Butanol-d1;tBuOD;t-C4H9OD;2-Propanol-d, 2-methyl-;DTXSID50192803;tert-Butanol-OD, 99 atom % D;MFCD00044421;2-METHYL-2-PROPAN(OL-D) D;D99425;2-Methyl-2-propan(ol-d), tert-Butanol-OD, tert-Butyl alcohol-d

Chemical Property of 2-Methylpropan-2-(2H)ol

Chemical Property:

• Vapor Pressure: 46mmHg at 25°C
• Melting Point: 23-26oC(lit.)
• Refractive Index: n20/D 1.3847(lit.)
• Boiling Point: 83 °C(lit.)
• Flash Point: 52 °F
• PSA: 20.23000
• Density: 0.786 g/mL at 25 °C
• LogP: 0.77720
• Storage Temp.: Flammables area
• Solubility.: Acetone, Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 75.079441684
• Heavy Atom Count: 5
• Complexity: 25.1

Purity/Quality:

98%min ^*data from raw suppliers

Tert-butyl Alcohol-OD ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-20-36/37
• Safety Statements: 9-16-46

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)O
• Isomeric SMILES: [2H]OC(C)(C)C
• Uses: Tert-butyl Alcohol-OD is used as an organic solvent. Also it is used in the synthesis of proteosome inhibitors that are quite potent. Labelled Tert-butyl Alcohol is used as an organic solvent. Also it is used in the synthesis of proteosome inhibitors that are quite potent.

Technology Process of 2-Methylpropan-2-(2H)ol

There total 17 articles about 2-Methylpropan-2-(2H)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: 89.0%

C13H17ClN2O3 → tert-butyl alcohol-d (3972-25-6) + tert-Butyl-dideuteroamin (35335-86-5) + benzaldehyde (100-52-7)

Guidance literature:

With ClCH₂COOH buffer; water-d2; In [D₃]acetonitrile; at 25 ℃; Product distribution; Mechanism; other substituted nitrosoamines;

DOI:10.1021/ja9833218

Reference yield: 31.0%

sodium t-butanolate (865-48-5) → tert-butyl alcohol-d (3972-25-6)

Guidance literature:

With trifluoroacetic acid-d₁; at 20 ℃; for 1h;

DOI:10.1021/jo300219v

Reference yield:

dimethylsilyl tert-butylperoxide (78957-19-4) → tert-butyl alcohol-d (3972-25-6) + 1,1,3,3-Tetramethyldisiloxane (3277-26-7) + pivalic acid-d1 + C2H7(2)HOSi

Guidance literature:

With water-d2; at 25 ℃; for 0.5h; Product distribution;

DOI:10.1007/BF00954802

upstream raw materials:

aluminum tri-tert-butoxide

tert-butoxy radical

C₅H₁₅⁽²⁾HSi₂

tert-butyl hydroperoxide-d1

Downstream raw materials:

1,3-diphenylindene

1,3-diphenyl-1-indenol

1,2,2-trideuterio-tert-butyl cyclohexanecarboxylate

1-(t-butoxydiethylsilyl)-2-(deuteriodiethylsilyl)benzene

Refernces

• 1、 Clark, Kensha Marie. "Synthesis and Reactivity of Low-Coordinate Titanium Synthons Supported by a Reduced Redox-Active Ligand". . p. 6443 - 6448. Retrieved 2016.
• 2、 Young,Guthrie. "". . p. 853. Retrieved 1970.
• 3、 Morton et al.. "-". . p. 5394,5395. Retrieved 1956.
• 4、 Despase et al.. "". . p. 3579,3580,3587. Retrieved 1978.
• 5、 Crespi, Stefano,Donabauer, Karsten,K?nig, Burkhard,Murugesan, Kathiravan,Rozman, Ur?a. "Photocatalytic Reductive Radical-Polar Crossover for a Base-Free Corey–Seebach Reaction". supporting information. p. 12945 - 12950. Retrieved 2020/09/23.