2,2-Dimethyl-3-pyrrolidin-1-ylpropanal

Base Information

• Chemical Name: 2,2-Dimethyl-3-pyrrolidin-1-ylpropanal
• CAS No.: 296264-94-3
• Molecular Formula: C₉H₁₇NO
• Molecular Weight: 155.24
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70389672
• Wikidata: Q82185691
• Mol file: 296264-94-3.mol

Synonyms:296264-94-3;2,2-dimethyl-3-pyrrolidin-1-ylpropanal;2,2-dimethyl-3-(pyrrolidin-1-yl)propanal;2,2-Dimethyl-3-(1-pyrrolidinyl)propanal;2,2-Dimethyl-3-pyrrolidin-1-yl-propionaldehyde;SCHEMBL341318;DTXSID70389672;MFCD00457349;STK503347;AKOS000672337;FS-6200;CS-0316246;FT-0756686;EN300-1256773;2,2-Dimethyl-3-(1-pyrrolidinyl)propanal, AldrichCPR;Z969776670

Chemical Property of 2,2-Dimethyl-3-pyrrolidin-1-ylpropanal

Chemical Property:

• Vapor Pressure: 0.126mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 218.4°C at 760 mmHg
• Flash Point: 67.8°C
• PSA: 20.31000
• Density: 0.945g/cm³
• LogP: 1.24520
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 155.131014166
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Dimethyl-3-pyrrolidin-1-ylpropanal ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CN1CCCC1)C=O

Technology Process of 2,2-Dimethyl-3-pyrrolidin-1-ylpropanal

There total 2 articles about 2,2-Dimethyl-3-pyrrolidin-1-ylpropanal 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + pyrrolidine hydrochloride (25150-61-2) + isobutyraldehyde (78-84-2) → 2,2-dimethyl-3-(N-pyrrolidinyl)propionaldehyde (296264-94-3)

Guidance literature:

With ethanol;

DOI:10.1021/jo01157a020 DOI:10.1002/hlca.19540370211

Reference yield:

→ 2,2-dimethyl-3-(N-pyrrolidinyl)propionaldehyde (296264-94-3)

Guidance literature:

In water; at 100 ℃; for 19h; Inert atmosphere; Cooling with ice;

Reference yield:

2,2-dimethyl-3-(N-pyrrolidinyl)propionaldehyde (296264-94-3) → 2,2-dimethyl-3-pyrrolidino-propan-1-ol (39067-46-4)

Guidance literature:

With ethanol; nickel; at 80 ℃; under 73550.8 Torr; Hydrogenation;

DOI:10.1002/hlca.19540370211

upstream raw materials:

formaldehyd

pyrrolidine hydrochloride

isobutyraldehyde

Downstream raw materials:

2,2-dimethyl-3-pyrrolidino-propan-1-ol

2,2-dimethyl-3-(pyrrolidin-1-yl)propan-1-amine

Refernces