(S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamine hydrochloride

Base Information

• Chemical Name: (S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamine hydrochloride
• CAS No.: 1152113-36-4
• Molecular Formula: C₇H₁₆N₂*2ClH
• Molecular Weight: 201.139
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60693513
• Mol file: 1152113-36-4.mol

Synonyms:1152113-36-4;(S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamine hydrochloride;(S)-N,N-Dimethyl-1-(pyrrolidin-2-yl)methanamine hydrochloride;MFCD19443946;N,N-Dimethyl-1-[(2S)-pyrrolidin-2-yl]methanamine hydrochloride;N,N-dimethyl-1-[(2S)-pyrrolidin-2-yl]methanamine;hydrochloride;dimethyl-(s)-1-pyrrolidin-2-ylmethyl-amine hcl;dimethyl[(2S)-pyrrolidin-2-ylmethyl]amine hydrochloride;(S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamine HCl;SCHEMBL1190877;DTXSID60693513;XCYCGYUJNRLFNJ-FJXQXJEOSA-N;AKOS015907396;AKOS015949507;AS-50703;(S)-2-(Dimethylamino)methylpyrrolidine HCl;CS-0183676;P10914;A893918;J-502506;W-204844;(S)-N,N-Dimethyl-1-(pyrrolidin-2-yl)methanaminehydrochloride;N,N-dimethyl-1-[(2S)-2-pyrrolidinyl]methanamine hydrochloride;N,N-Dimethyl-1-[(2S)-pyrrolidin-2-yl]methanamine--hydrogen chloride (1/1);115211-33-1

Chemical Property of (S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamine hydrochloride

Chemical Property:

• PSA: 15.27000
• LogP: 1.43080
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.1080262
• Heavy Atom Count: 10
• Complexity: 81

Purity/Quality:

97% ^*data from raw suppliers

(S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1CCCN1.Cl
• Isomeric SMILES: CN(C)C[C@@H]1CCCN1.Cl

Technology Process of (S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamine hydrochloride

There total 6 articles about (S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamine 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:

(2S)-2-((dimethylamino)methyl)pyrrolidine-1-carboxylic acid tert-butyl ester (160115-24-2) → N,N-dimethyl-N-(((2S)-pyrrolidin-2-yl)methyl)amine dihydrochloride (1152113-36-4)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃; for 0.5h;

DOI:10.1016/S0223-5234(02)01370-3

Reference yield:

1-(tert-butoxycarbonyl)-L-proline (15761-39-4,59433-50-0) → N,N-dimethyl-N-(((2S)-pyrrolidin-2-yl)methyl)amine dihydrochloride (1152113-36-4)

Guidance literature:

Multi-step reaction with 4 steps

1: 17.11 g / HOBt; DMAP; EDAC*HCl / CH₂Cl₂ / 16 h / 0 - 20 °C

2: DIBAL / toluene; diethyl ether / 3 h / -78 °C

3: 1.29 g / NaB(OAc)3H; AcOH; molecular sieves 0.4 nm / CH₂Cl₂; ethanol / 72 h

4: HCl / ethyl acetate / 0.5 h / 20 °C

With hydrogenchloride; dmap; 4 A molecular sieve; sodium tris(acetoxy)borohydride; diisobutylaluminium hydride; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In diethyl ether; ethanol; dichloromethane; ethyl acetate; toluene;

DOI:10.1016/S0223-5234(02)01370-3

Reference yield:

Boc-L-Pro-H (69610-41-9,117625-90-8) → N,N-dimethyl-N-(((2S)-pyrrolidin-2-yl)methyl)amine dihydrochloride (1152113-36-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.29 g / NaB(OAc)3H; AcOH; molecular sieves 0.4 nm / CH₂Cl₂; ethanol / 72 h

2: HCl / ethyl acetate / 0.5 h / 20 °C

With hydrogenchloride; 4 A molecular sieve; sodium tris(acetoxy)borohydride; acetic acid; In ethanol; dichloromethane; ethyl acetate;

DOI:10.1016/S0223-5234(02)01370-3

upstream raw materials:

(2S)-2-((dimethylamino)methyl)pyrrolidine-1-carboxylic acid tert-butyl ester

1-(tert-butoxycarbonyl)-L-proline

Boc-L-Pro-H

(2S)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester