2,2-Dimethoxypropan-1-amine

Base Information

• Chemical Name: 2,2-Dimethoxypropan-1-amine
• CAS No.: 131713-50-3
• Molecular Formula: C11H12BrNO3
• Molecular Weight: 119.164
• European Community (EC) Number: 870-538-6
• Mol file: 131713-50-3.mol

Synonyms:2,2-DIMETHOXYPROPAN-1-AMINE;131713-50-3;1-amino-2,2-dimethoxypropane;2,2-DIMETHOXY-1-PROPANAMINE;1-Propanamine, 2,2-dimethoxy-;MFCD10698200;2,2-dimethoxypropylamine;1-amino-2,2-dimethyoxypropane;SCHEMBL2060930;CJZOSFDKUBPWHD-UHFFFAOYSA-N;AKOS006304391;AB61531;DS-19364;SY116006;CS-0147461;EN300-216175;A930111

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

Chemical Property:

• Boiling Point: 146 °C(Press: 751 Torr)
• PKA: 6.98±0.10(Predicted)
• PSA: 44.48000
• Density: 0.962 g/cm3(Temp: 25 °C)
• LogP: 0.65440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 119.094628657
• Heavy Atom Count: 8
• Complexity: 61.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)(OC)OC

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

There total 3 articles about 2,2-Dimethoxypropan-1-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: 78.0%

1-aminopropan-2-one hydrochloride (7737-17-9) + trimethyl orthoformate (149-73-5) → 1-amino-2,2-dimethoxypropane (131713-50-3)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 24h; Heating;

DOI:10.1016/0223-5234(96)88312-7

Reference yield:

2,2-dimethoxypropanenitrile (53981-66-1) → 1-amino-2,2-dimethoxypropane (131713-50-3)

Guidance literature:

With cyclohexane; ammonia; nickel; at 75 - 115 ℃; under 89731.9 Torr; Hydrogenation;

DOI:10.1021/ja01629a074

Reference yield:

(2,2-dimethoxypropyl)carbamic acid benzyl ester (869563-78-0) → 1-amino-2,2-dimethoxypropane (131713-50-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 8.5h;

DOI:10.1002/anie.200463065

upstream raw materials:

2,2-dimethoxypropanenitrile

1-aminopropan-2-one hydrochloride

trimethyl orthoformate

(2,2-dimethoxypropyl)carbamic acid benzyl ester

Downstream raw materials:

2,2-dimethoxy-N-<1-methyl-9-(phenylmethyl)-9H-carbazol-3-yl>methylpropanamine

N-(2,2-dimethoxypropyl)-4-methyl-N-<1-methyl-9-(phenylmethyl)-9H-carbazol-3-yl>methylbenzenesulphonamide

C₂₁H₂₅I₂N₃O₆

C₂₁H₂₆IN₃O₆