2-Amino-3-methyl-1-butanol

Base Information

• Chemical Name: 2-Amino-3-methyl-1-butanol
• CAS No.: 16369-05-4
• Molecular Formula: C5H13 N O
• Molecular Weight: 103.164
• Hs Code.: 29221990
• European Community (EC) Number: 217-975-5,240-425-0
• NSC Number: 322922
• UNII: F4FX82ATU2
• DSSTox Substance ID: DTXSID70862814
• Nikkaji Number: J12.589J
• Wikipedia: Valinol
• Wikidata: Q7911716
• Metabolomics Workbench ID: 71568
• Mol file: 16369-05-4.mol

Synonyms:(+-)-isomer of valinol;2-amino-3-methyl-1-butanol;valinol

Chemical Property of 2-Amino-3-methyl-1-butanol

Chemical Property:

• Appearance/Colour: CLEAR YELLOW LIQUID
• Vapor Pressure: 0.182mmHg at 25°C
• Melting Point: 31-32℃
• Refractive Index: n20/D 1.4543(lit.)
• Boiling Point: 75-77 °C8 mm Hg(lit.)
• PKA: 12.82±0.10(Predicted)
• Flash Point: 194 °F
• PSA: 46.25000
• Density: 0.936 g/mL at 25 °C(lit.)
• LogP: 0.66230
• Storage Temp.: Refrigerator (+4°C)
• Water Solubility.: Soluble in water
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 45.3

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-3-methyl-1-butanol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(CO)N
• Uses: 2-Amino-3-methyl-1-butanol was used in the synthesis of 1-allyl-2-pyrroleimines. It was also used as chiral nucleophile in the total synthesis of benanomicin-pradimicin antibiotics. It was used as homochiral guest compound during synthesis of crown ethers containing two chiral subunits.

Technology Process of 2-Amino-3-methyl-1-butanol

There total 16 articles about 2-Amino-3-methyl-1-butanol 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: 97.0%

4-isopropyloxazolidin-2-one (17016-83-0,17016-84-1,95530-58-8,103723-70-2) → valinol (16369-05-4,473-75-6)

Guidance literature:

With N-(2-Aminoethyl)aminomethyl polystyrene; In tetrahydrofuran; at 60 ℃;

DOI:10.1016/S0040-4039(01)02218-3

Reference yield: 91.0%

D,L-valine (516-06-3,25609-85-2,7004-03-7,921-10-8) → valinol (16369-05-4,473-75-6)

Guidance literature:

With zirconium(IV) borohydride; In tetrahydrofuran; at 25 ℃; for 3h;

DOI:10.1080/00397910008087061

Reference yield: 82.0%

valine ethyl ester (13893-45-3) → valinol (16369-05-4,473-75-6)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/jo00298a018

upstream raw materials:

valine ethyl ester

(RS)-N-acetyl valine ethyl ester

nitroisoamyl alcohol

L-valine methyl ester

Downstream raw materials:

(+/-)-2--3-methyl-1-butanol

N-benzylidene-1-methoxy-3-methyl-2-butanamine N-oxide

N-(benzoyloxy)-1-methoxy-3-methyl-2-butanamine

(1'R*,2S*)-N-hydroxy-N-(1'-phenylethyl)-1-methoxy-3-methyl-2-butanamine