4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid

Base Information

• Chemical Name: 4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid
• CAS No.: 128453-98-5
• Molecular Formula: C10H17NO4S
• Molecular Weight: 247.31
• Hs Code.: 2934999090
• European Community (EC) Number: 672-562-0
• DSSTox Substance ID: DTXSID90373573
• Mol file: 128453-98-5.mol

Synonyms:128453-98-5;4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid;4-Boc-Thiomorpholine-3-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic Acid;MFCD02683067;4-[(tert-butoxy)carbonyl]thiomorpholine-3-carboxylic acid;N-Boc-3-thiomorpholinecarboxylic Acid;sodium2-chloropropionate;SCHEMBL1618739;DTXSID90373573;CTDIKDIZNAGMFK-UHFFFAOYSA-N;CS-D0738;AKOS015912161;AB19222;N-Boc-thiomorpholine-3-carboxylic acid;PS-3704;SB30842;SB31301;4-N-Boc-3-thiomorpholinecarboxylic acid;SY011973;FT-0643090;FT-0687456;EN300-124015;T61879;4-(t-butoxycarbonyl)thiomorpholine-3-carboxylic acid;4-(t-butoxycarbonyl)thiomorpholine3-carboxylic acid;W-205296;Z1505711971;(+/-)-Thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester, AldrichCPR

Chemical Property of 4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.82E-07mmHg at 25°C
• Melting Point: 145-146°C
• Refractive Index: 1.534
• Boiling Point: 398.6 °C at 760 mmHg
• Flash Point: 194.8 °C
• PSA: 92.14000
• Density: 1.259g/cm³
• LogP: 1.36140
• Storage Temp.: 2-8°C
• 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:

99%, ^*data from raw suppliers

4-(tert-butoxycarbonyl)thiomorpholine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCSCC1C(=O)O

Technology Process of 4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid

There total 4 articles about 4-(tert-Butoxycarbonyl)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:

di-tert-butyl dicarbonate (24424-99-5) + thiomorpholine-3-carboxylic acid hydrochloride (96612-95-2) → thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester (128453-98-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + di-tert-butyl dicarbonate (24424-99-5) + perhydro-1,4-thiazine-3-carboxylic acid (20960-92-3) → thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester (128453-98-5)

Guidance literature:

With triethylamine; In water; ethyl acetate;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + ethyl thiomorpholine-3-carboxylate (58729-31-0) → thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester (128453-98-5)

Guidance literature:

di-tert-butyl dicarbonate; ethyl thiomorpholine-3-carboxylate; With sodium hydrogencarbonate; sodium chloride; In chloroform; for 4h; Heating;

With sodium hydroxide; In methanol; at 20 ℃; for 3h; Further stages.;

DOI:10.1021/jm0704705

upstream raw materials:

di-tert-butyl dicarbonate

ethyl thiomorpholine-3-carboxylate

1,4-dioxane

perhydro-1,4-thiazine-3-carboxylic acid

Downstream raw materials:

C₂₅H₂₅F₅N₄O₅S

C₂₂H₂₃N₃O₄S₃

C₂₀H₂₅N₃O₄S₂

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