Cevimeline Hydrochloride Salt

Base Information

• Chemical Name: Cevimeline Hydrochloride Salt
• CAS No.: 173553-37-2
• Molecular Formula: C10H17NOS.ClH
• European Community (EC) Number: 689-009-4,690-626-6
• DSSTox Substance ID: DTXSID701338114
• NCI Thesaurus Code: C1337
• RXCUI: 260036
• Mol file: 173553-37-2.mol

Synonyms:2-methyspiro(1,3-oxathiolane-5,3)quinuclidine;AF 102B;AF 102B, (cis-(+))-isomer;AF 102B, (trans)-isomer;AF-102B;AF102B;cevimeline;cevimeline hydrochloride;Evoxac;FKS 508;FKS-508;SNI 2011;SNI-2011

Chemical Property of Cevimeline Hydrochloride Salt

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 235.0797631
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1OC2(CN3CCC2CC3)CS1.Cl
• Recent ClinicalTrials: Cevimeline in Treating Patients With Dry Mouth Caused by Radiation Therapy for Head and Neck Cancer

Technology Process of Cevimeline Hydrochloride Salt

There total 6 articles about Cevimeline Hydrochloride Salt 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: 62.0%

3-hydroxy-3-(mercaptomethyl)quinuclidine (107220-26-8,158568-64-0) + acetaldehyde (75-07-0,9002-91-9) → Cevimeline hydrochloride (173553-37-2,107220-28-0)

Guidance literature:

3-hydroxy-3-(mercaptomethyl)quinuclidine; acetaldehyde; With boron trifluoride diethyl etherate; In dichloromethane;

With hydrogenchloride; In diethyl ether;

DOI:10.1016/j.tetlet.2013.03.090

Reference yield:

C8H14BrNO*BrH (1435450-13-7) → Cevimeline hydrochloride (173553-37-2,107220-28-0)

Guidance literature:

Multi-step reaction with 3 steps

1: water / 2 h / 100 - 110 °C / Green chemistry

2: sodium hydroxide / water / 2 h / 100 °C / Green chemistry

3: boron trifluoride diethyl etherate / dichloromethane

With boron trifluoride diethyl etherate; water; sodium hydroxide; In dichloromethane; water;

DOI:10.1016/j.tetlet.2013.03.090

Reference yield:

C9H13NO2S (1435450-21-7) → Cevimeline hydrochloride (173553-37-2,107220-28-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water / 2 h / 100 °C / Green chemistry

2: boron trifluoride diethyl etherate / dichloromethane

With boron trifluoride diethyl etherate; sodium hydroxide; In dichloromethane; water;

DOI:10.1016/j.tetlet.2013.03.090

upstream raw materials:

C₈H₁₄BrNO*BrH

C₉H₁₃NO₂S

3-hydroxy-3-(mercaptomethyl)quinuclidine

acetaldehyde

Refernces