4-Amino-4-methylpentan-2-ol

Base Information

• Chemical Name: 4-Amino-4-methylpentan-2-ol
• CAS No.: 4404-98-2
• Molecular Formula: C6H15NO
• Molecular Weight: 117.191
• European Community (EC) Number: 224-550-8
• NSC Number: 46440,7090
• DSSTox Substance ID: DTXSID101310415
• Nikkaji Number: J13.318C
• Mol file: 4404-98-2.mol

Synonyms:4-Amino-4-methylpentan-2-ol;4-AMINO-4-METHYL-PENTAN-2-OL;4404-98-2;4-amino-4-methyl-2-pentanol;EINECS 224-550-8;Diacetonalkamine;NSC7090;2-methyl-2-aminopentan-4-ol;SCHEMBL1371544;2-Pentanol, 4-amino-4-methyl-;DTXSID101310415;NSC 7090;NSC-7090;NSC46440;NSC 46440;NSC-46440;AKOS000301715;AKOS016042173;FT-0760070;A827275

Chemical Property of 4-Amino-4-methylpentan-2-ol

Chemical Property:

• Vapor Pressure: 0.373mmHg at 25°C
• Refractive Index: 1.451
• Boiling Point: 174.5 °C at 760 mmHg
• Flash Point: 69.7 °C
• Density: 0.907 g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 117.115364102
• Heavy Atom Count: 8
• Complexity: 70.9

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CC(C)(C)N)O

Technology Process of 4-Amino-4-methylpentan-2-ol

There total 23 articles about 4-Amino-4-methylpentan-2-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: 96.0%

4-azido-4-methyl-pentan-2-ol → 4-amino-4-methylpentan-2-ol (4404-98-2)

Guidance literature:

With sodium tetrahydroborate; tin bis(1,2-benzenethiolate); In tetrahydrofuran; phosphate buffer; at 10 ℃; for 0.5h; pH=10;

DOI:10.1021/ol991359z

Reference yield: 91.0%

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine (26939-18-4) → 4-amino-4-methylpentan-2-ol (4404-98-2)

Guidance literature:

With sodium hydroxide; In water;

Reference yield: 67.0%

4-methyl-pent-3-en-2-one (141-79-7) → 4-amino-4-methylpentan-2-ol (4404-98-2)

Guidance literature:

4-methyl-pent-3-en-2-one; With ammonia; In methanol; at 26 ℃; for 2h;

With sodium tetrahydroborate; In methanol; for 2h; Reflux;

DOI:10.1016/j.tet.2014.01.008

upstream raw materials:

2,2,4,4,6-pentamethyl-2,3,4,5,tetrahydropyrimidine

4-methyl-pent-3-en-2-one

N-(3-hydroxy-1,1-dimethyl-butyl)-acetamide

4-amino-4-methylpentan-2-one

Downstream raw materials:

phenyl-(4,4,6-trimethyl-5,6-dihydro-4H-[1,3]thiazin-2-yl)-amine

4,4,6-trimethyl-tetrahydro-[1,3]oxazin-2-one

4,4,6-Trimethyl-2-((E)-2-naphthalen-1-yl-vinyl)-5,6-dihydro-4H-[1,3]oxazine; hydrochloride

2-[(E)-2-(3-Chloro-phenyl)-vinyl]-4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazine; hydrochloride

Refernces

• 1、 Bosch, Imma,Costa, Anna M.,Martin, Manuel,Urpi, Felix,Vilarrasa, Jaume. "Reduction of azides to amines mediated by tin bis(1,2-benzenedithiolate)". . p. 397 - 399. Retrieved 2007/10/03.
• 2、 Kuznetsov. "Reaction of 2-Isobutyl-4,4,6-Trimethyl-1,3,2-Oxazaborinane with Acetonitrile". . p. 127 - 128. Retrieved 2007/10/03.