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783350-37-8

783350-37-8 Structure

783350-37-8 Structure
IdentificationBack Directory
[Name]

4-Boc-3(S)-morpholinecarboxylic acid
[CAS]

783350-37-8
[Synonyms]

4-Boc-3(S)-morpholinecarboxylic acid
(S)-N-Boc-morpholine-3-carboxylic acid
(S)-4-N-Boc-3-Morpholinecarboxylic acid
(S)-4-N-Boc-Morpholine-3-carboxylic acid
(S)-Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
4-(tert-Butoxycarbonyl)morpholine-3-(S)-carboxylic acid
(3S)-4-[(tert-butoxy)carbonyl]Morpholine-3-carboxylic acid
(3S)-3,4-Morpholinedicarboxylic Acid 4-(1,1- Dimethylethyl) Ester
3,4-Morpholinedicarboxylic acid, 4-(1,1-dimethylethyl) ester, (3S)-
(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
(3S)-3,4-Morpholinedicarboxylic Acid 4-(1,1-Dimethylethyl) Ester,99%e.e.
[Molecular Formula]

C10H17NO5
[MDL Number]

MFCD04114904
[MOL File]

783350-37-8.mol
[Molecular Weight]

231.25
Chemical PropertiesBack Directory
[Boiling point ]

369.5±42.0 °C(Predicted)
[density ]

1.230±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

powder
[pka]

3.53±0.20(Predicted)
[color ]

White
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
[InChIKey]

KVXXEKIGMOEPSA-ZETCQYMHSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCOC[C@H]1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

(S)-4-Boc-morpholine-3-carboxylic Acid is used to prepare indazole arylsulfonamides as allosteric CC-chemokine receptor 4 antagonists.
[Synthesis]

3-Morpholinecarboxylic acid

77873-76-8

Di-tert-butyl dicarbonate

24424-99-5

4-Boc-3(S)-morpholinecarboxylic acid

783350-37-8

The general procedure for the synthesis of (3S)-4-tert-butyl 3,4-morpholine dicarboxylate from 3-morpholinecarboxylic acid and di-tert-butyl dicarbonate was as follows: to a solution of dichloromethane (DCM, 100 mL) containing morpholine-3-carboxylic acid (3 g, 22.9 mmol, 1.0 eq.) was added sequentially triethylamine (TEA, 6.9 g, 68.7 mmol, 3.0 eq.) and di Di-tert-butyl carbonate (Boc2O, 15 g, 68.7 mmol, 3.0 eq.). The reaction mixture was stirred at room temperature for 3 hours. After completion of the reaction, the mixture was concentrated and the resulting residue was purified by silica gel column chromatography (eluent ratio petroleum ether/ethyl acetate = 5/1) to afford the target product (S)-4-(tert-butoxycarbonyl)morpholine-3-carboxylic acid (700 mg, 14% yield) as a colorless liquid.

[References]

[1] Patent: WO2017/98328, 2017, A2. Location in patent: Paragraph 00266
Spectrum DetailBack Directory
[Spectrum Detail]

4-Boc-3(S)-morpholinecarboxylic acid(783350-37-8)1HNMR
4-Boc-3(S)-morpholinecarboxylic acid(783350-37-8)1HNMR
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