Cas no 868689-63-8 ((2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid)

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid structure
868689-63-8 structure
Product Name:(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
CAS No:868689-63-8
MF:C10H17NO5
MW:231.245683431625
MDL:MFCD06200662
CID:69122
PubChem ID:1519383
Update Time:2025-09-22

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (S)-4-Boc-Morpholine-2-carboxylic acid
    • (2S)-2,4-Morpholinedicarboxylic acid 4-(1,1-dimethylethyl) ester
    • (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
    • (S)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid
    • (S)-N-BOC-2-MORPHOLINECARBOXYLIC ACID
    • (S)-2,4-morpholinedicarboxylic acid 4-(1,1-dimethylethyl)ester
    • (S)-Morpholine-2,4-dicarboxylic acid 4-tert-butyl ester
    • (S)-N-Boc-Morpholine-2-carboxylic acid
    • (2S)-4-[(TERT-BUTOXY)CARBONYL]MORPHOLINE-2-CARBOXYLIC ACID
    • (S)-N-Boc-2-morpholinecarboxylicacid
    • PubChem18059
    • (2S)-4-(tert-butoxycarbonyl)morpholine-2-carb
    • 4-(1,1-Dimethylethyl) (2S)-2,4-morpholinedicarboxylate (ACI)
    • (S)-2-Carboxymorpholine-4-carboxylic acid tert-butyl ester
    • N-Boc-(2S)-2-morpholinecarboxylic acid
    • AC-4301
    • (S)-4-tert-butyloxycarbonyl-2-morpholinecarboxylic acid
    • (S)-4-Boc-Morpholine-2-carboxylicacid
    • (S)-N-Boc-2-morpholine carboxylic acid
    • SCHEMBL194710
    • (2S)-2,4-Morpholinedicarboxylic Acid-4-(1,1-Dimethylethyl)ester
    • DTXSID40364017
    • (2S)-4-(tert-butoxycarbonyl)morpholine-2-carboxylic acid
    • SS-4389
    • CS-W019899
    • AKOS016842285
    • 868689-63-8
    • MFCD06200662
    • EN300-159830
    • DB-003841
    • LGWMTRPJZFEWCX-ZETCQYMHSA-N
    • (2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
    • MDL： MFCD06200662
    • Inchi： 1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
    • InChI Key： LGWMTRPJZFEWCX-ZETCQYMHSA-N
    • SMILES： C(N1CCO[C@H](C(=O)O)C1)(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 231.11100
  • Monoisotopic Mass: 231.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 283
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 76.1
  • XLogP3: 0.4

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.230
  • Melting Point: 127-134oC
  • Boiling Point: 369.5°C at 760 mmHg
  • Flash Point: 369.5 °C at 760 mmHg
  • Refractive Index: 1.492
  • PSA: 76.07000
  • LogP: 0.64480

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid Security Information

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid Pricemore >>

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(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Isopropanol ;  35 °C → rt
1.2 Reagents: Tetraethylammonium hydroxide Solvents: Water ;  overnight, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 9 - 10
1.4 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  50 psi, rt
1.5 Solvents: Tetrahydrofuran ;  overnight, rt
1.6 Reagents: Tetrabutylammonium bromide ,  4-Acetamido-TEMPO Solvents: Dichloromethane ,  Water ;  0 °C
1.7 Reagents: Sodium bicarbonate ,  Sodium hypochlorite Solvents: Water ;  1 h, 0 °C
1.8 Reagents: Sodium hydroxide ,  Sodium sulfite ;  pH 12
1.9 Reagents: Hydrochloric acid Solvents: Water ;  < pH 2
Reference
Concise Synthesis of (S)-N-BOC-2-Hydroxymethylmorpholine and (S)-N-BOC-Morpholine-2-carboxylic Acid
Henegar, Kevin E., Journal of Organic Chemistry, 2008, 73(9), 3662-3665

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: 1-Butanol ,  Water ;  reflux
2.1 Catalysts: Triacylglycerol lipase Solvents: tert-Butyl methyl ether ,  Water ;  24 - 30 h, rt
3.1 Reagents: 1-Methyl-1,4-cyclohexadiene Catalysts: Palladium Solvents: Ethanol ;  reflux
Reference
Enantioselective synthesis of (R)- and (S)-N-Boc-morpholine-2-carboxylic acids by enzyme-catalyzed kinetic resolution: application to the synthesis of reboxetine analogs
Fish, Paul V.; et al, Tetrahedron Letters, 2009, 50(4), 389-391

Production Method 3

Reaction Conditions
1.1 Reagents: 1-Methyl-1,4-cyclohexadiene Catalysts: Palladium Solvents: Ethanol ;  reflux
Reference
Enantioselective synthesis of (R)- and (S)-N-Boc-morpholine-2-carboxylic acids by enzyme-catalyzed kinetic resolution: application to the synthesis of reboxetine analogs
Fish, Paul V.; et al, Tetrahedron Letters, 2009, 50(4), 389-391

Production Method 4

Reaction Conditions
1.1 Catalysts: Triacylglycerol lipase Solvents: tert-Butyl methyl ether ,  Water ;  24 - 30 h, rt
2.1 Reagents: 1-Methyl-1,4-cyclohexadiene Catalysts: Palladium Solvents: Ethanol ;  reflux
Reference
Enantioselective synthesis of (R)- and (S)-N-Boc-morpholine-2-carboxylic acids by enzyme-catalyzed kinetic resolution: application to the synthesis of reboxetine analogs
Fish, Paul V.; et al, Tetrahedron Letters, 2009, 50(4), 389-391

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid Raw materials

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid Preparation Products

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