(R)-4-Boc-thiomorpholine-3-carboxylic acid

Base Information

• Chemical Name: (R)-4-Boc-thiomorpholine-3-carboxylic acid
• CAS No.: 114525-81-4
• Molecular Formula: C10H17 N O4 S
• Molecular Weight: 247.315
• Hs Code.: 29334900
• DSSTox Substance ID: DTXSID00373165
• Wikidata: Q72450880
• Mol file: 114525-81-4.mol

Synonyms:114525-81-4;(R)-4-Boc-thiomorpholine-3-carboxylic acid;(R)-4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid;(R)-N-Boc-thiomorpholine-3-carboxylic acid;(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid;SCHEMBL2681085;DTXSID00373165;CTDIKDIZNAGMFK-ZETCQYMHSA-N;BCP14220;MFCD04114906;AKOS016845967;AS-36710;TS-00754;CS-0005340;A894192;(R)-4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylicacid;(R)-4-(tert-butoxy carbonyl)thiomorpholine-3-carboxylic acid

Chemical Property of (R)-4-Boc-thiomorpholine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.82E-07mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 398.6°C at 760 mmHg
• PKA: 3.53±0.20(Predicted)
• Flash Point: 194.8°C
• PSA: 92.14000
• Density: 1.259g/cm³
• LogP: 1.36140
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 247.08782920
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

(R)-4-Boc-thiomorpholine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCSCC1C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)O

Technology Process of (R)-4-Boc-thiomorpholine-3-carboxylic acid

There total 2 articles about (R)-4-Boc-thiomorpholine-3-carboxylic 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: 64.6%

di-tert-butyl dicarbonate (24424-99-5) + 2-(R)-thiomorpholine carboxylic acid hydrochloride (65527-54-0) → (R)-4-(tert-butoxycarbonyl)thiomorpholine-3-carboxylic acid (114525-81-4)

Guidance literature:

With sodium hydrogencarbonate; In methanol; at 20 ℃; for 24h;

Reference yield: 64.6%

di-tert-butyl dicarbonate (24424-99-5) + (R)-thiomorpholine-2-carboxylic acid → (R)-4-(tert-butoxycarbonyl)thiomorpholine-3-carboxylic acid (114525-81-4)

Guidance literature:

With sodium hydrogencarbonate; In methanol; at 20 ℃; for 24h;

Reference yield: 80.5%

N-(2,4-dichlorobenzyl)-2-(piperazin-1-yl)pyrido[2,3-d]pyrimidin-4-amine (668980-23-2) + (R)-4-(tert-butoxycarbonyl)thiomorpholine-3-carboxylic acid (114525-81-4) → C28H33Cl2N7O3S

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃;

upstream raw materials:

di-tert-butyl dicarbonate

2-(R)-thiomorpholine carboxylic acid hydrochloride

Downstream raw materials:

C₂₇H₃₁Cl₂N₃O₆S

C₃₀H₃₇Cl₂N₃O₆S

(R)-N-Boc-thiomorpholine-3-carboxylic acid

methyl (3R)-1,4-thiazane-3-carboxylate