1-Propanol, 3-(dimethylamino)-

Base Information

• Chemical Name: 1-Propanol, 3-(dimethylamino)-
• CAS No.: 3179-63-3
• Molecular Formula: C5H13NO
• Molecular Weight: 103.164
• Hs Code.: 2922.19
• European Community (EC) Number: 221-659-2
• NSC Number: 62086
• UNII: RZ359222MZ
• DSSTox Substance ID: DTXSID5062895
• Nikkaji Number: J80.660I
• Wikidata: Q72469181
• ChEMBL ID: CHEMBL1209424
• Mol file: 3179-63-3.mol

Synonyms:3-dimethylaminopropan-1-ol;dimethylaminopropanol

Chemical Property of 1-Propanol, 3-(dimethylamino)-

Chemical Property:

• Appearance/Colour: clear to light yellow liquid
• Vapor Pressure: 0.7mmHg at 25°C
• Melting Point: -35 °C
• Refractive Index: n20/D 1.436(lit.)
• Boiling Point: 163.5 °C at 760 mmHg
• PKA: 15.02±0.10(Predicted)
• Flash Point: 36.1 °C
• PSA: 23.47000
• Density: 0.89 g/cm³
• LogP: -0.06960
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Water Solubility.: miscible
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 103.099714038
• Heavy Atom Count: 7
• Complexity: 37.1

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dimethylpropanolamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 10-41-34-22
• Safety Statements: 26-39-45-36/37/39-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)CCCO
• Uses: 3-Dimethylamino-1-propanol, is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

Technology Process of 1-Propanol, 3-(dimethylamino)-

There total 28 articles about 1-Propanol, 3-(dimethylamino)- 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: 86.0%

ethyl 3-(N,N-dimethylamino)propionate (20120-21-2) → 3-Dimethylamino-1-propanol (3179-63-3)

Guidance literature:

With C₁₃H₃₄BFeNOP₂; hydrogen; In tetrahydrofuran; at 100 ℃; for 18h; under 22502.3 Torr; Autoclave; Inert atmosphere;

DOI:10.1002/adsc.201500930

Reference yield: 78.0%

methyl 3-(dimethylamino)propionate (3853-06-3) → 3-Dimethylamino-1-propanol (3179-63-3)

Guidance literature:

With hydrogen; C₂₈H₂₅BrMnN₂O₂P; lithium tert-butoxide; In propan-1-ol; at 100 ℃; for 24h; under 38002.6 Torr; Autoclave;

DOI:10.1002/adsc.202101376

Reference yield: 73.5%

dimethyl amine (124-40-3) + 1-bromo-3-propanol (627-18-9) → 3-Dimethylamino-1-propanol (3179-63-3)

Guidance literature:

In tetrahydrofuran; water; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1002/mabi.201000179

upstream raw materials:

sodium allyloxide

dimethyl amine

allyl alcohol

1-chloro-3-hydroxypropane

Downstream raw materials:

4-dimethylamino-benzoic acid-(3-dimethylamino-propyl ester)

furan-2-carboxylic acid-(3-dimethylamino-propyl ester)

5-benzyl-furan-2-carboxylic acid-(3-dimethylamino-propyl ester)

1-phenyl-cyclopentanecarboxylic acid-(3-dimethylamino-propyl ester)