1,1-Diethoxypropan-2-amine

Base Information

• Chemical Name: 1,1-Diethoxypropan-2-amine
• CAS No.: 55064-41-0
• Molecular Formula: C7H17NO2
• Molecular Weight: 147.217
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID60970417
• Nikkaji Number: J24.179B
• Mol file: 55064-41-0.mol

Synonyms:1,1-diethoxypropan-2-amine;55064-41-0;1,1-Diethoxy-2-propanamine;2-Propanamine, 1,1-diethoxy-;SCHEMBL288820;2,2-Diethoxy-1-methylethylamine;DTXSID60970417;MFCD11168292;AKOS006221655;AS-42469;EN300-100864;Z336087868

Chemical Property of 1,1-Diethoxypropan-2-amine

Chemical Property:

• Vapor Pressure: 0.446mmHg at 25°C
• Boiling Point: 194.2°Cat760mmHg
• PKA: 7.24±0.10(Predicted)
• Flash Point: 74.9°C
• PSA: 44.48000
• Density: 0.913g/cm³
• LogP: 1.43300
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 147.125928785
• Heavy Atom Count: 10
• Complexity: 72

Purity/Quality:

99% ^*data from raw suppliers

1,1-Diethoxy-2-propanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C(C)N)OCC
• Uses: 1,1-Diethoxy-2-propanamine, can be used for the synthesis of N-protected α-amino aldehydes occur as C-terminal units of peptide aldehydes with enzyme inhibitor activity, such as Leupeptin. They can also be used for the preparation of amino sugars, and unusual amino acids.

Technology Process of 1,1-Diethoxypropan-2-amine

There total 3 articles about 1,1-Diethoxypropan-2-amine 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: 48.0%

2-bromopropionaldehyde diethyl acetal (3400-55-3) → 2-aminopropionaldehyde diethyl acetal (55064-41-0)

Guidance literature:

With ammonia; at 120 ℃; for 6h;

DOI:10.1021/jm00384a025

Reference yield:

1,1-diethoxypropane (4744-08-5) → 2-aminopropionaldehyde diethyl acetal (55064-41-0)

Guidance literature:

Multi-step reaction with 2 steps

1: calcium carbonate; bromine / <5 / zuerst ohne Loesungsmittel, dann unter Zusatz von Aether

2: alcohol; ammonia / 125 - 130 °C / im Autoklaven

With ethanol; ammonia; bromine; calcium carbonate;

Reference yield:

→ 2-aminopropionaldehyde diethyl acetal (55064-41-0)

Guidance literature:

(+-)-2-Brom-propionaldehyd-diethylacetal, NH3, 6h, 120grad/80atm.;

DOI:10.1002/hlca.19620450143

upstream raw materials:

2-bromopropionaldehyde diethyl acetal

1,1-diethoxypropane

Downstream raw materials:

N-(β,β-diethoxy-isopropyl)-N'-phenyl-thiourea

1,4-dimethyl-1,3-dihydro-imidazole-2-thione

(5-ethoxy-4-methyl-4,5-dihydro-thiazol-2-yl)-methyl-amine

4-methyl-2-(4-fluorophenyl)imidazole