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Basic information
- CAS
47173-80-8- Standard SMILES
CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)[O-]- InChIKey
DMBKPDOAQVGTST-GFCCVEGCSA-M- Molecular formula
- C15H20NO5-
- Average molar mass
- 294.327 g/mol
- Monoisotopic mass
- 294.13469632
Names & identifiers
- Preferred name
- 3-(Benzyloxy)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate
- IUPAC
- (2R)-3-(Benzyloxy)-2-{[tert-butoxy(hydroxy)methylidene]amino}propanoate
- English name
- Boc-D-Ser(Bzl)-OH
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
O-BENZYL-N-(TERT-BUTOXYCARBONYL)-D-SERINEBOC-SER(BZL)-OHN-BOC-O-BENZYL-D-SERINEBOC-SER(BZL)BOC-D-SER(BZL)BOC-L-SER(BZL)-OHBOC-O-BENZYL-L-SERINET-BUTYLOXYCARBONYL-O-BENZYL-L-SERINEN-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-D-serine(R)-3-(benzyloxy)-2-((tert-butoxycarbonyl)aMino)propanoic acid
Database identifiers
- CAS
47173-80-8- PubChem CID
- 6992571
- DTXSID
DTXSID80963760
Properties
Physicochemical properties
- Melting point
- 58 · 58-60 °C(lit.)
- alpha
- -19 · -19 º (c=2 80% alcohol)
- Boiling point
- 437.02 °C · 437.02°C (rough estimate)
- Density
- 1.1454 · 1.1454 (rough estimate)
- refractive index
- -20 ° · -20 ° (C=2, 80% EtOH)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- almost transparency in Methanol
- pka
- 3.53 · 3.53±0.10(Predicted)
- form
- Powder
- color
- White
- BRN
- 2665080 · 2665080
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
- InChIKey
- DMBKPDOAQVGTST-GFCCVEGCSA-N
- SMILES
- C(O)(=O)[C@@H](COCC1=CC=CC=C1)NC(OC(C)(C)C)=O
- CAS DataBase Reference
- 47173 · 47173-80-8(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2924 29 70
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-BOC-O-Benzyl-D-serine, is an amino acid derivative used in chemical synthesis and peptide chemistry.is used in preparation of substituted naphthyl thiadiazolidinones as protein tyrosine phosphatase degraders for treating cancer and metabolic diseases.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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