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Home> Encyclopedia > Hot Product Listed 1   > 1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2S)-
15761-39-4 structure

1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (2S)-

Iupac Name:(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CAS No.:15761-39-4
EINECS(EC#): 239-848-3
Molecular Weight:215.249
Molecular Formula:C10H17NO4 (isomer)
Names and Identifiers
Synonyms

(2s)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid (2s)-1,2-pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester (2S)-1,2-Pyrrolidinedicarboxylic acid1-(1,1-dimethylethyl) ester (2s)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-carboxylic acid (2s)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid (2s)-1-[(tert-butyl)oxycarbonyl]pyrrolidine-2-carboxylic acid (2s)-pyrrolidine-1,2-dicarboxylic acid-1-t-butylester (5)-1-(tert-butoxycarbonyl)-pyrrolidine-2-carboxylic acid (s)-1-(tert-butoxycarbonyl) pyrrolidine-2-carboxylic acid (S)-1-(tert-Butoxycarbonyl)-2-pyrrolidinecarboxylicacid (s)-1-(tert-butoxycarbonyl)-pyrrolidine-2-carboxylic acid (s)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid (s)-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester (s)-2-(tert-butoxycarbonyl)-1-pyrrolidinecarboxylic acid (s)-boc proline (s)-boc-pyrrolidine-2-carboxylic acid (s)-n-(tert-butoxycarbonyl)-proline (s)-n-boc-proline (s)-n-tert-butoxycarbonylproline (s)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester (s)pyrrolidine-1,2-dicarboxylic acid tert butyl ester (tert-butoxycarbonyl)-l-proline 1-(tert-Butoxycarbonyl)-(S)-proline 1-(tert-butoxycarbonyl)-l-proline 1-(tert-butoxycarbonyl)proline, (l)- 1-(tert-butyl) hydrogen (s)-pyrrolidine-1,2-dicarboxylate 1,2-PYRROLIDINEDICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) ESTER, (2S)- 1,2-pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (s)- 1-tert-butoxycarbonyl-l-proline 1-tert-Butyloxycarbonyl-L-proline A10087 A7815 AB0005296 AB01652 AB1000420 AC-17113 AC1Q5XO9 AJ-09258 AK-46001 AKOS000281182 AKOS005258729 AM20080415 ANW-21708 AS-11199 B1188 BB_NC-1899 boc-(s)-proline Boc-DL-Proline-OH BOC-L-PRO boc-l-proline BOC-L-Proline, 99+% BOC-L-Proline, 99+% 25GR boc-l-proline-oh boc-l-pro-oh boc-prolin boc-prooh boc-pro-oh boc-pro-oh, >=99.0% (t) boc-pro-oh, 99% BR-46001 CHEMBL1221957 CTK5H0379 einecs 239-848-3 F0001-2357 FC0542 FT-0601709 HMS2212B13 KB-48357 KB-57788 L-N-Boc-proline L-Proline, N-BOC protected, (2S)-1-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylic acid L-PROLINE-N-T-BOC M03314 MLS000862862 N -( tert -Butoxycarbonyl)-L-proline n-(t-butoxycarbonyl)-l-proline n-(tert-butoxycarbonyl)-(l)-proline n-(tert-butoxycarbonyl)-l-proline n-(tert-butyloxycarbonyl)-(s)-proline N-(tert-Butyloxycarbonyl)-L-proline N-[(1,1-Dimethylethoxy)carbonyl]-(S)-proline n-alpha-t-butyloxycarbonyl-l-proline n-boc proline n-boc-l-proline N-Boc-L-proline Boc-Pro-OH n-boc-l-pro-oh NCGC00165407-01 nsc 164660 n-t-boc-l-proline n-t-butoxycarbonyl-(s)-proline n-t-butoxycarbonylproline n-t-butyloxycarbonyl-l-proline n-tert-butoxycarbonylprolin n-tert-butoxycarbonylproline, (s)- PUBCHEM10505 Q-101638 RTR-006624 SBB065759 SCHEMBL67044 ST2412704 SY005295 t-butoxycarbonylproline t-butyloxycarbonyl-l-proline tert-butoxycarbonyl-l-proline tert-butoxycarbonylproline TERT-BUTYLOXYCARBONYLPROLINE UPCMLD00WGW001:001 ZINC56436

Inchi
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChkey
ZQEBQGAAWMOMAI-ZETCQYMHSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC1C(=O)O
Isomers Smiles
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O
Properties
Appearance
White to off-white crystalline powder
Density
1.201
Melting Point
133-136℃
Boiling Point
337.2 °C at 760 mmHg
Vapour
2E-05mmHg at 25°C
Refractive Index
-60 ° (C=2, AcOH)
Flash Point
157.7 °C
Alpha
-60.5 º (C=1, HAC)
Solubility
Appearance:White to off-white crystalline powder
Transport Information: OTH
Hazard Symbols:Not regulated UN NO.
particular:particular
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
2933 99 80
Storage temp
Store at RT.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R20/21/22
Safety Statements
S24/25
HazardClass
IRRITANT
Safety

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-36/37/38 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26 
S24/25: Avoid contact with skin and eyes. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 3
HazardClass: IRRITANT

Transport
OTH
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:215.249g/mol
  • Molecular Formula:C10H17NO4
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.5
  • Exact Mass:215.116
  • Monoisotopic Mass:215.116
  • Complexity:269
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.8A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByOAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAACAAADGzBgAQCCAMABgAI AACQGAAAAAAAAAAAAAGIAAACABIAgCAMQAAEBgCQAACYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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