1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)- supplier

Name
(2R,4S)-N-BOC-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 321744-26-7
Article Data5
CAS DataBase
Density 1.182 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₅
Boiling Point 352.1 °C at 760 mmHg
Molecular Weight 259.302
Flash Point 166.8 °C
Transport Information
Appearance Colorless to amber viscous liquid or waxy mass
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-tert-butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate;
PSA 76.07000
LogP 0.85770

1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)- Specification

The 1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)-, with the CAS registry number 321744-26-7, is also known as 1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₂H₂₁NO₅ and molecular weight is 259.3. Its IUPAC name is called 1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes. The product should be sealed and stored in cool and dry place at 4 °C.

Physical properties of 1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)-: (1)ACD/LogP: 0.44; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1.26; (5)ACD/BCF (pH 7.4): 1.26; (6)ACD/KOC (pH 5.5): 41.17; (7)ACD/KOC (pH 7.4): 41.17; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.495; (12)Molar Refractivity: 63.98 cm³; (13)Molar Volume: 219.2 cm³; (14)Surface Tension: 44.9 dyne/cm; (15)Density: 1.182 g/cm³; (16)Flash Point: 166.8 °C; (17)Enthalpy of Vaporization: 69.12 kJ/mol; (18)Boiling Point: 352.1 °C at 760 mmHg; (19)Vapour Pressure: 2.3E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1C(=O)OC)O
(2)Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C[C@@H]1C(=O)OC)O
(3)InChI: InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h8-9,14H,5-7H2,1-4H3/t8-,9+/m0/s1
(4)InChIKey: RNMVWSAJMIKMDY-DTWKUNHWSA-N

Product Name

(2R,4S)-N-BOC-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER

1,2-Piperidinedicarboxylicacid, 4-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R,4S)- Specification

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