1,3-Dimethoxypropan-2-amine

Base Information

• Chemical Name: 1,3-Dimethoxypropan-2-amine
• CAS No.: 78531-29-0
• Molecular Formula: C5H13 N O2
• Molecular Weight: 119.164
• Hs Code.: 2922199090
• European Community (EC) Number: 818-970-6
• DSSTox Substance ID: DTXSID70363790
• Wikidata: Q72436158
• Mol file: 78531-29-0.mol

Synonyms:1,3-dimethoxypropan-2-amine;78531-29-0;2-Amino-1,3-dimethoxypropane;2-Amino-1,3-dimethoxy propane;2-Propanamine, 1,3-dimethoxy-;5-ADP3LI3H2O;2-amino-1,3-dimethoxypropan;1,3-Dimethoxy-2-propanamine;SCHEMBL509933;DTXSID70363790;MFCD04038441;AKOS006293896;CS-W005488;GS-3914;SB75619;2-amino-1,3-dimethoxypropane, AldrichCPR;FT-0703219;A21598;EN300-245369

Chemical Property of 1,3-Dimethoxypropan-2-amine

Chemical Property:

• Vapor Pressure: 2.35mmHg at 25°C
• Boiling Point: 160.8°C at 760 mmHg
• PKA: 7.00±0.10(Predicted)
• Flash Point: 52°C
• PSA: 44.48000
• Density: 0.932g/cm³
• LogP: 0.30680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 119.094628657
• Heavy Atom Count: 8
• Complexity: 43.7

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dimethoxypropan-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(COC)N

Technology Process of 1,3-Dimethoxypropan-2-amine

There total 2 articles about 1,3-Dimethoxypropan-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:

1,3-dimethoxy-2-azidopropane (453548-89-5) → 1,3-dimethoxy-2-propylamine (78531-29-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 6h;

Reference yield:

(2-methoxy-1-methoxymethyl-ethyl)-carbamic acid tert-butyl ester → 1,3-dimethoxy-2-propylamine (78531-29-0)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 2h;

DOI:10.1021/ja0318378

Reference yield: 98.0%

1,3-dimethoxy-2-propylamine (78531-29-0) + 3-[2-bromo-4-(1-methylethyl)phenyl]-7-chloro-5-methyl-3H-1,2,3-triazolo[4,5-d]pyrimidine (169882-29-5) → N-(1-methoxymethyl-2-methoxyethyl)-3-[2-bromo-4-(1-methyl)ethylphenyl]-5-methyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-amine

Guidance literature:

With triethylamine; In ethanol; Heating;

DOI:10.1021/jm980224g

upstream raw materials:

1,3-dimethoxy-2-azidopropane

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