1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)- supplier

Name
BOC-3,4-DEHYDRO-PRO-OH
EINECS
CAS No. 51154-06-4
Article Data2
CAS DataBase
Density 1.236 g/cm³
Solubility
Melting Point 92-95oC
Formula C₁₀H₁₅NO₄
Boiling Point 336.4 °C at 760 mmHg
Molecular Weight 213.233
Flash Point 157.3 °C
Transport Information
Appearance
Safety 26-60-61
Risk Codes 36-50
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (S)-;(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid;2,5-Dihydro-1-[(1,1-dimethylethoxy)carbonyl]-1H-pyrrole-2-(S)-carboxylic acid;1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid;
PSA 66.84000
LogP 1.18440

1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)- Specification

The 1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)- with CAS registry number of 51154-06-4 is also known as (S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid. The systematic name is 1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid. It belongs to product categories of Amino Acids; A-H; Modified Amino Acids. In addition, the formula is C₁₀H₁₅NO₄ and the molecular weight is 213.23. What's more, this chemical should be stored in sealed containers at the temperature of 2-8 °C.

Physical properties about 1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)- are: (1)ACD/LogP: 0.53; (2)ACD/LogD (pH 5.5): -1.27; (3)ACD/LogD (pH 7.4): -2.89; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.521; (12)Molar Refractivity: 52.53 cm³; (13)Molar Volume: 172.5 cm³; (14)Surface Tension: 49.1 dyne/cm; (15)Density: 1.236 g/cm³; (16)Flash Point: 157.3 °C; (17)Enthalpy of Vaporization: 63.7 kJ/mol; (18)Boiling Point: 336.4 °C at 760 mmHg; (19)Vapour Pressure: 2.11E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and very toxic to aquatic organisms. During using it, avoid release to the environment. This material and its container must be disposed of as hazardous waste. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OC(C)(C)C)N1C(/C=C\C1)C(=O)O
2. InChI: InChI=1/C10H15NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h4-5,7H,6H2,1-3H3,(H,12,13)
3. InChIKey: BMIGSRMSSCUMAZ-UHFFFAOYAE

Product Name

BOC-3,4-DEHYDRO-PRO-OH

1H-Pyrrole-1,2-dicarboxylicacid, 2,5-dihydro-, 1-(1,1-dimethylethyl) ester, (2S)- Specification

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