2-Piperidinemethanesulfonic acid

Base Information

• Chemical Name: 2-Piperidinemethanesulfonic acid
• CAS No.: 127075-48-3
• Molecular Formula: C6H13NO3S
• Molecular Weight: 247
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID401302752
• Mol file: 127075-48-3.mol

Synonyms:2-Piperidinemethanesulfonic acid;piperidin-2-ylmethanesulfonic acid;DTXSID401302752;AKOS015951368;piperidin-2-ylmethyltrifluoromethanesulfonate

Chemical Property of 2-Piperidinemethanesulfonic acid

Chemical Property:

• PSA: 63.78000
• Density: 1.261
• LogP: 2.40430
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 179.06161445
• Heavy Atom Count: 11
• Complexity: 206

Purity/Quality:

98% ^*data from raw suppliers

2-Piperidinemethanesulfonicacid 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC(C1)CS(=O)(=O)O

Technology Process of 2-Piperidinemethanesulfonic acid

There total 4 articles about 2-Piperidinemethanesulfonic acid 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: 94.0%

(RS)-1-Aza-8-thiabicyclo<4.2.0>octan-8,8-dioxid (87357-14-0) → (RS)-2-Piperidinmethansulfonsaeure (127075-48-3)

Guidance literature:

With hydrogenchloride; In water; for 0.0833333h;

DOI:10.1002/ardp.19903230208

Reference yield:

(R,S)-2-piperidylmethanethiol (85657-12-1) → (RS)-2-Piperidinmethansulfonsaeure (127075-48-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / HCl, Cl₂ / CCl₄; ethanol / T < 10 deg C

2: 81 percent / NH₃ / CHCl₃

3: 94 percent / verd. HCl / H₂O / 0.08 h

With hydrogenchloride; ammonia; chlorine; In tetrachloromethane; ethanol; chloroform; water;

DOI:10.1002/ardp.19903230208

Reference yield:

(R,S)-2-piperidylmethanesulfonyl chloride hydrochloride (85657-13-2) → (RS)-2-Piperidinmethansulfonsaeure (127075-48-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / NH₃ / CHCl₃

2: 94 percent / verd. HCl / H₂O / 0.08 h

With hydrogenchloride; ammonia; In chloroform; water;

DOI:10.1002/ardp.19903230208

upstream raw materials:

(RS)-1-Aza-8-thiabicyclo<4.2.0>octan-8,8-dioxid

(R,S)-2-piperidylmethanethiol

(R,S)-2-piperidylmethanesulfonyl chloride hydrochloride

(RS)-9-Imino-1-aza-8-thiabicyclo<4.3.0>nonan-hydrobromid-thioharnstoff