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Home> Hot Product Listed B   > BOC-ALPHA-ALLYL-ME-DL-PRO-OH
28957-08-6 structure

BOC-ALPHA-ALLYL-ME-DL-PRO-OH

CAS No.:28957-08-6
Molecular Weight:406.475
Molecular Formula:C9H9NO (isomer)
Names and Identifiers
Synonyms

1-(tert-butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid 1-(tert-butoxycarbonyl)-2-methylpyrrolidine-2-carboxylicacid 1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid 1-Boc-2-methyl-2-pyrrolidinecarboxylic acid, Boc-α-methyl-DL-proline 1-boc-2-methyl-2-pyrrolidinecarboxylic acid 1-boc-2-methyl-dl-proline 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid 2-methyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester AB0023275 AB13740 AC1N5NT2 ACT09215 AK-86137 AKOS004910715 AKOS015999984 ANW-46475 boc-2-methyl-dl-proline boc-alpha-me-dl-pro-oh boc-alpha-me-dl-pro-oh, >=96.0% (hplc) boc-alpha-methyl-(d,l)-proline boc-alpha-methyl-dl-proline CCG-211609 CS-M0708 CTK8B4838 DB-066187 DTXSID70400730 FT-0735337 HE049459 I04-9092 J-013271 KB-64086 KS-00001E94 MCULE-9533771844 mfcd03095494 MOLPORT-003-938-597 PUBCHEM23410 RT-021757 SC-53857 SCHEMBL192363 ST24026971 W4298 X-1120 Y7552 YQXRKJHVAUKXRN-UHFFFAOYSA-N Z1483956942

Inchi
InChI=1S/C22H30O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h12-15,17-18,25-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,17+,18-,20+,21-,22+/m0/s1
InChkey
DJQLJZNVICMJRV-NGPIVHDLSA-N
Canonical Smiles
CC(=O)OC1CCC(C2C13COC(C2O)(C45C3CCC(C4O)C(=C)C5=O)O)(C)C
Isomers Smiles
CC(=O)O[C@H]1CCC([C@@H]2[C@@]13COC([C@H]2O)([C@]45[C@H]3CC[C@H](C4O)C(=
C)C5=O)O)(C)C
Properties
Appearance
White to gray powder
Melting Point
238-239℃
Vapour
2.82E-16mmHg at 25°C
Refractive Index
1.605
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:406.475g/mol
  • Molecular Formula:C9H9NO
  • Compound Is Canonicalized:True
  • Exact Mass:406.199
  • Monoisotopic Mass:406.199
  • Complexity:820
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:113A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:9
  • 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: AAADceB4OAAAAAAAAAAAAAAAAAAAAYAAAAA0aMECBgAAAADQAAAAGgAACAAADxSggAICCAAABgCI AoDSCAAAAAAgAAAAAAEAAEgREBYAAQACQAAF4AAHAIHK7PzPgAAAAAAAAADAAAYAADCAAQAABAAA AA==
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Recommended Suppliers
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:+86-371- 55366292
  • Fax:
  • Tel:+86-0311-66562153
  • Fax:
  • Tel:+86-871-65217109
  • Fax:
  • Tel:+44 (0)208 191 7890
  • Fax:
 
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