Z-SER(BZL)-OH
- Iupac Name：(2S)-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propanoic acid
- CAS No.: 20806-43-3
- Molecular Weight：329.352
- Modify Date.: 2022-11-22 19:59
- Introduction:
To a stirred solution of O-benzyl-L-serine (25.0 g, 128 mmole) in water (200 ml) and dioxane (100 ml) was added sodium carbonate (7.46 g, 70 mmole) at room temperature. To a stirred solution of O-benzyl-L-serine (25.0 g, 128 mmole) in water (200 ml) and dioxane (100 ml) was added sodium carbonate (7.46 g, 70 mmole) at room temperature.
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1. Names and Identifiers
- 1.1 Name
- Z-SER(BZL)-OH
- 1.2 Synonyms
(2S)-3-(benzyloxy)-2-{[(benzyloxy)carbonyl]amino}propanoic acid (S)-3-(benzyloxy)-2-(benzyloxycarbonylamino)propanoic acid Alanine, 3-(benzyloxy)-N-carboxy-, N-benzyl ester, L- AmbotzZAA1185 Benzyloxycarbonyl-O-benzyl L-serine BENZYLOXYCARBONYL-O-BENZYL-L-SERINE Carbobenzyloxy-O-benzyl-L-serine Cbz-O-benzyl-L-serine CBZ-SER(BZL)-OH EINECS 244-049-8 L-N-(Benzyloxycarbonyl)-O-benzylserine L-Serine, N-[(phenylmethoxy)carbonyl]-O-(phenylmethyl)- MFCD00022029 N-[(Phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-serine N-ALPHA-CARBOBENZOXY-O-BENZYL L-SERINE N-ALPHA-CBZ-O-BENZYL-L-SERINE N-benzyloxycarbonyl-O-benzyl-(L)-serine N-Benzyloxycarbonyl-O-benzyl-L-serine N-CARBOBENZOXY-O-BENZYL-L-SERINE N-carbobenzyloxy-O-benzyl-L-serine N-Cbz-(S)-serine-O-benzyl NSC 164036 O-Benzyl-N-[(benzyloxy)carbonyl]-L-serine O-benzyl-N-benzyloxycarbonyl-L-serine O-Benzyl-N-carbobenzoxyserine Z-O-BENZYL-L-SERINE Z-SER(BZL)-OH Z-SERINE(BZL)-OH
- 1.3 CAS No.
- 20806-43-3
- 1.4 CID
- 6993425
- 1.5 EINECS(EC#)
- 244-049-8
- 1.6 Molecular Formula
- C18H19NO5 (isomer)
- 1.7 Inchi
- InChI=1S/C18H19NO5/c20-17(21)16(13-23-11-14-7-3-1-4-8-14)19-18(22)24-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/t16-/m0/s1
- 1.8 InChkey
- CYYRLHUAMWRBHC-INIZCTEOSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C=C1)COCC(C(=O)O)NC(=O)OCC2=CC=CC=C2
- 1.10 Isomers Smiles
- C1=CC=C(C=C1)COC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2
2. Properties
- 2.1 Density
- 1.253
- 2.1 Boiling point
- 537.1°C at 760 mmHg
- 2.1 Refractive index
- 1.58
- 2.1 Flash Point
- 278.7°C
- 2.1 Precise Quality
- 329.12600
- 2.1 PSA
- 84.86000
- 2.1 logP
- 2.97370
- 2.1 Storage
- Store at RT.
- 2.2 pKa
- 3.51±0.10(Predicted)
- 2.3 Water Solubility
- Slightly soluble in water.
- 2.4 StorageTemp
- Store at RT.
3. 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
5. Other Information
- 5.0 Usage
- N-Benzyloxycarbonyl-O-benzyl-L-serine is used as pharmaceutical intermediate.
6. Computational chemical data
- Molecular Weight: 329.352g/mol
- Molecular Formula: C18H19NO5
- Compound Is Canonicalized: True
- XLogP3-AA: 2.4
- Exact Mass: 329.12632271
- Monoisotopic Mass: 329.12632271
- Complexity: 389
- Rotatable Bond Count: 9
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 84.9
- Heavy Atom Count: 24
- 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: AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQCAAADCjhmAYwCILABgCIAiDSGAACAAAgAAAIiIGICIkKJiaAMTiLcAAl9gEYqAeAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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8. Realated Product Infomation
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