rac-4-(Methylamino)-1-(3-pyridyl)-1-butanol

Base Information

• Chemical Name: rac-4-(Methylamino)-1-(3-pyridyl)-1-butanol
• CAS No.: 76030-54-1
• Molecular Formula: C₁₀H₁₆N₂O
• Molecular Weight: 180.25
• DSSTox Substance ID: DTXSID80399005
• Mol file: 76030-54-1.mol

Synonyms:rac-4-(Methylamino)-1-(3-pyridyl)-1-butanol;76030-54-1;4-(methylamino)-1-pyridin-3-ylbutan-1-ol;4-(Methylamino)-1-(pyridin-3-yl)butan-1-ol;4-(METHYLAMINO)-1-(3-PYRIDYL)-1-BUTANOL;SCHEMBL5470982;DTXSID80399005;AKOS006278363;4-methylamino-1-pyridin-3-ylbutan-1-ol;4-(methylamino)-1-(3-pyridinyl)-1-butanol;FT-0671481;FT-0671482;FT-0671483;alpha-[3-(Methylamino)propyl]-3-pyridinemethanol

Chemical Property of rac-4-(Methylamino)-1-(3-pyridyl)-1-butanol

Chemical Property:

• PSA: 45.15000
• LogP: 1.50550
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.126263138
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

rac-4-(Methylamino)-1-(3-pyridyl)-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCCCC(C1=CN=CC=C1)O

Technology Process of rac-4-(Methylamino)-1-(3-pyridyl)-1-butanol

There total 8 articles about rac-4-(Methylamino)-1-(3-pyridyl)-1-butanol 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:

Pseudooxynicotine (2055-23-4) → 4-methylamino-1-[3]pyridyl-butan-1-ol (2055-27-8,76030-54-1) + nicotin (54-11-5) + D-nicotine (25162-00-9)

Guidance literature:

With Cp*Ir(biot-p-L)Cl; streptavidin S₁₁₂A-K₁₂₃₁T mutant; oxygen; sodium formate; In aq. buffer; at 37 ℃; pH=7.8; enantioselective reaction; Enzymatic reaction;

DOI:10.1038/nchem.1498

Reference yield:

Pseudooxynicotine (2055-23-4) → 4-methylamino-1-[3]pyridyl-butan-1-ol (2055-27-8,76030-54-1) + 3-(1-methyl-pyrrolidin-2-yl)-pyridine (22083-74-5)

Guidance literature:

With sodium tetrahydroborate; In water; pH 9.0;

Reference yield:

Pseudooxynicotine (2055-23-4) → C10H16N2O + (S)-4-methylamino-1-[3]pyridyl-butan-1-ol (2055-27-8,76030-54-1)

Guidance literature:

With streptavidin S₁₁₂G mutant; Cp*Ir(biot-p-L)Cl; oxygen; sodium formate; In aq. buffer; at 37 ℃; pH=7.8; Optical yield = 30 %ee; enantioselective reaction; Enzymatic reaction;

DOI:10.1038/nchem.1498

upstream raw materials:

(S)-2-methyl-6-[3]pyridyl-tetrahydro-[1,2]oxazine

trans-(S)-nicotine N-1'-oxide

nicotin

Pseudooxynicotine

Downstream raw materials:

methyl-(4-pyridin-3-yl-but-3-enyl)-amine

3-(1-methyl-pyrrolidin-2-yl)-pyridine

(E)-4-(methyl-propenyl-amino)-1-pyridin-3-yl-butan-1-ol

Refernces

• 1、 Brandaenge, Svante,Lindblom, Lars,Pilotti, Ake,Rodriguez, Benito. "Ring-Chain Tautomerism of Pseudooxynicotine and Some Other Iminium Compounds". . p. 617 - 622. Retrieved 2007/10/02.