2-(Dimethylamino)acetaldehyde hydrochloride

Base Information

• Chemical Name: 2-(Dimethylamino)acetaldehyde hydrochloride
• CAS No.: 125969-54-2
• Molecular Formula: C4H9NO.ClH
• Molecular Weight: 123.582
• DSSTox Substance ID: DTXSID00552337
• Mol file: 125969-54-2.mol

Synonyms:125969-54-2;2-(Dimethylamino)acetaldehyde hydrochloride;2-(dimethylamino)acetaldehyde;hydrochloride;2-(diMethylaMino)acetaldehyde, Hydrochloride;2-(Dimethylamino)acetaldehyde (hydrochloride);Acetaldehyde, 2-(dimethylamino)-, hydrochloride (1:1);(Dimethylamino)acetaldehyde hydrochloride;Acetaldehyde, (dimethylamino)-, hydrochloride;DTXSID00552337;VUFMJROCMFQILX-UHFFFAOYSA-N;2-(Dimethylamino)acetaldehyde HCl;MFCD23701588;AKOS016009908;HY-100061A;SB85361;2-(Dimethylamino)acetaldehydehydrochloride;AS-75878;PD156692;CS-0114075;D88083;(Dimethylamino)acetaldehyde--hydrogen chloride (1/1)

Chemical Property of 2-(Dimethylamino)acetaldehyde hydrochloride

Chemical Property:

• PSA: 20.31000
• LogP: 0.54890
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.0450916
• Heavy Atom Count: 7
• Complexity: 42.8

Purity/Quality:

97% ^*data from raw suppliers

2-(Dimethylamino)acetaldehydehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC=O.Cl

Technology Process of 2-(Dimethylamino)acetaldehyde hydrochloride

There total 1 articles about 2-(Dimethylamino)acetaldehyde hydrochloride 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:

1,1-dimethoxymethyl-N,N-dimethylmethanamine (38711-20-5) → 2-(dimethylamino)-acetaldehyde hydrochloride (125969-54-2)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 4.5h;

DOI:10.1021/jm5014659

Reference yield: 50.0%

2-(dimethylamino)-acetaldehyde hydrochloride (125969-54-2) + diethyl (2-((4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluorophenyl)amino)-2-oxoethyl)phosphonate → (E)-N-(4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluorophenyl)-4-(dimethylamino)but-2-enamide

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 0 ℃; for 2h;

Reference yield: 47.2%

2-(dimethylamino)-acetaldehyde hydrochloride (125969-54-2) + 4-((R)-1-((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-((3-carboxy-3-methylbutanoyl)oxy)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chiysen-3a-yl)-2-((4-chlorobenzyl)amino)ethoxy)-2,2-dimethyl-4-oxobutanoic acid trifluoroacetate → 4-((R)-1-((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-((3-carboxy-3-methylbutanoyl)oxy)-1-isopropyl-5a,5b,8,8,11 a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-3a-yl)-2-((4-chlorobenzyl)(2-(dimethylamino)ethyl)amino)ethoxy)-2,2-dimethyl-4-oxobutanoic acid trifluoroacetate

Guidance literature:

With sodium tris(acetoxy)borohydride; triethylamine; In methanol; at 20 ℃; pH=7 - 8;

upstream raw materials:

1,1-dimethoxymethyl-N,N-dimethylmethanamine

Downstream raw materials:

C₂₀H₂₄N₄O₄

4-(((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((R)-2-((3-chlorobenzyl)(ethyl)amino)-1-hydroxyethyl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl)oxy)-2,2-dimethyl-4-oxobutanoic acid trifluoroacetate

4-(((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((S)-1-acetoxy-2-((4-chlorobenzyl)(2-(dimethylamino)ethyl)amino)ethyl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl)oxy)-2,2-dimethyl-4-oxobutanoic acid

(Z)-(S)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)-2-fluorobut-2-enamide