1-Amino-2-methylpropan-2-ol

Base Information

• Chemical Name: 1-Amino-2-methylpropan-2-ol
• CAS No.: 2854-16-2
• Molecular Formula: C4H11NO
• Molecular Weight: 89.1374
• Hs Code.: 2922199090
• European Community (EC) Number: 803-530-8
• NSC Number: 17697
• DSSTox Substance ID: DTXSID10182760
• Nikkaji Number: J50.946I
• Wikidata: Q72439366
• Mol file: 2854-16-2.mol

Synonyms:1-amino-2-methylpropan-2-ol;2854-16-2;1-Amino-2-methyl-propan-2-ol;1-Amino-2-methyl-2-propanol;2-Propanol, 1-amino-2-methyl-;3-Amino-2-methyl-2-propanol;1,1-Dimethylethanolamine;2-Propanol, l-amino-2-methyl;MFCD01697283;NSC 17697;BRN 0505969;2-Methyl-2-hydroxypropylamine;2-Hydroxy-2-methyl-1-propylamine;4-04-00-01746 (Beilstein Handbook Reference);1-Amino-2-methyl-2-propanol anhydrous basis;NSC17697;2-Hydroxyisobutylamine;amino methyl isopropanol;2-Amino-A,A-dimethylethanol;2-hydroxy-2-methylpropylamine;WLN: ZXQ1&1;1-amino-2-methylpropane-2-ol;2-hydroxy-2-methyl-propylamine;DTXSID10182760;Amino-2-methyl-2-propanol, 1-;2-Amino-alpha,alpha-dimethylethanol;BCP16117;BBL102509;NSC-17697;STL556312;AKOS005266498;CS-W008799;GS-3545;SB36379;AC-25613;SY022204;1-Amino-2-methylpropan-2-ol, AldrichCPR;LS-121676;A5405;AM20090364;BB 0237226;FT-0678434;EN300-68225;1-Amino-2-methyl-2-propanol, 95% anhydrous basis;J-504180

Chemical Property of 1-Amino-2-methylpropan-2-ol

Chemical Property:

• Melting Point: 8.72°C (estimate)
• Refractive Index: n20/D1.448
• Boiling Point: 167.2 °C at 760 mmHg
• PKA: 12.99±0.50(Predicted)
• Flash Point: 54.9 °C
• PSA: 46.25000
• Density: 0.93 g/cm³
• LogP: 0.41630
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Ethyl Acetate (Slightly)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 89.084063974
• Heavy Atom Count: 6
• Complexity: 42.8

Purity/Quality:

99%, ^*data from raw suppliers

3-Amino-2-methyl-2-propanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(CN)O
• Uses: 3-Amino-2-methyl-2-propanol, is a versatile intermediate used for the synthesis of more complex compounds, including inhibitors. It is an intermediate in the preparation of metabolites of Darunavir (D193500), such as (A581405).

Technology Process of 1-Amino-2-methylpropan-2-ol

There total 23 articles about 1-Amino-2-methylpropan-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: 99.0%

1-dibenzylamino-2-methyl-propan-2-ol (344868-41-3) → 1-Amino-2-methyl-propan-2-ol (2854-16-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24h;

DOI:10.1248/cpb.c12-00382

Reference yield: 85.0%

3-Hydroxy-3-methylbutyric acid (625-08-1) → 1-Amino-2-methyl-propan-2-ol (2854-16-2)

Guidance literature:

3-Hydroxy-3-methylbutyric acid; With 4-methyl-morpholine; diphenyl phosphoryl azide; In tetrahydrofuran; at 25 ℃; for 2.25h;

With water; In tetrahydrofuran; for 2h; Reagent/catalyst; Reflux;

Reference yield: 81.0%

2-hydroxy-2-methylpropanenitrile (75-86-5) → 1-Amino-2-methyl-propan-2-ol (2854-16-2)

Guidance literature:

2-hydroxy-2-methylpropanenitrile; With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 23h; Inert atmosphere;

With Glauber's salt; at 0 - 20 ℃; for 8h; Inert atmosphere;

DOI:10.1021/jm300167z

upstream raw materials:

2-methyl-1,2-epoxypropane

2-hydroxy-2-methyl-propionaldehyde oxime

2-hydroxy-2-methylpropanenitrile

methyl magnesium iodide

Downstream raw materials:

N-(2-hydroxy-2-methylpropyl)benzamide

N-(β-hydroxy-isobutyl)-N'-phenyl-thiourea

4-nitro-benzoic acid-(β-hydroxy-isobutylamide)

3-nitro-benzoic acid-(β-hydroxy-isobutylamide)

Refernces

• 1、 Bonningue, Corine,Houalla, Douraid,Wolf, Robert,Jaud, Joel. "BICYCLIC PHOSPHANES. PART 2. SPONTANEOUS DIMERIZATION OF A CONSTRAINED BICYCLIC PHOSPHANE. THE CRYSTAL AND MOLECULAR STRUCTURE OF A TRICYCLIC COMPOUND CONTAINING THE DIOXADIAZADIPHOSPHECINE RING". . p. 773 - 776. Retrieved 1983.
• 2、 Moore,W.M.,Baylor,C.. "-". . p. 7170 - 7179. Retrieved 1969.
• 3、 -. "LOCALLY ACTING TOLL-LIKE RECEPTOR 7 (TLR7) AND/OR TLR8 AGONIST IMMUNOTHERAPY COMPOUNDS AND THEIR USES". Paragraph 0029; 00163-00164; 00169. . Retrieved 2020/10/19.
• 4、 -. "Intermediate compound used for synthesizing valnemulin hydrochloride, and preparation method of valnemulin hydrochloride". Paragraph 0018; 0019; 0023. . Retrieved 2017/08/02.