Basic information
- CAS
2766-43-0- Standard SMILES
COC(=O)[C@H](CO)NC(=O)OC(C)(C)C- InChIKey
SANNKFASHWONFD-LURJTMIESA-N- Molecular formula
- C9H17NO5
- Average molar mass
- 219.23 g/mol
- Monoisotopic mass
- 219.11067264
Overview
structure in first source
Names & identifiers
- Preferred name
- N-Boc-L-serine methyl ester
- IUPAC
- methyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- English name
- Boc-L-serine methyl ester
- Molecular formula
- C9H17NO5
- Molecular weight
- 219.24
Names & synonyms
2766-43-0N-(tert-Butoxycarbonyl)-L-serine methyl esterN-Boc-L-serine Methyl Ester7UGR7X7P8GN-tert-Butyloxycarbonyl-L-serine methyl esterRefChem:828690690-499-7Boc-Ser-OMeBoc-L-serine methyl esterBoc-L-Ser-OMe(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoateMFCD00191869
Show more names
Boc-Ser-MeBOC-SERINE-OMEDL-(4-NO2)-PheBoc-DL-Ser.oMe
N-tert-butoxycarbonyl-L-serine Methyl Estermethyl (tert-butoxycarbonyl)-L-serinateL-Serine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl estermethyl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoatemethyl N-(tert-butoxycarbonyl)-L-serinateSCHEMBL313780N-Boc-(S)-serine methyl esterDTXSID30427089
Database identifiers
- CAS
2766-43-0- PubChem CID
- 7019177
- DTXSID
DTXSID30427089- ChEMBL
CHEMBL1222065
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- alpha
- -18 · -18 º (c=5 in methanol)
- Boiling point
- 354.3 · 354.3±32.0 °C(Predicted)
- Density
- 1.082 g/mL · 1.082 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.452(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 10.7 · 10.70±0.46(Predicted)
- form
- Liquid or Oil
- color
- Colorless to yellow
- optical activity
- 20 · [α]20/D 18°, c = 5 in methanol
- Water Solubility
- Slightly soluble in water.
- BRN
- 3545389 · 3545389
- Major Application
- peptide synthesis
- InChI
- 1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Danger
H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (25%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 29241990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesN-tert-Butoxycarbonyl-L-serine Methyl Ester is an amino acid derivative used in the preparation of Tn antigen, L-glutamic acid p-nitroanilide analogs and new biomedical polymers having Serine and Threonine side groups.
UsesBoc-L-serine methyl ester is a derivative of L-Serine Methyl Ester Hydrochloride (S271005) derivative. Boc-L-serine methyl ester is an amino acid derivative used in the preparation of Tn antigen, L-glutamic acid p-nitroanilide analogs and new biomedical polymers having Serine and Threonine side groups.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
28 records
Compound notes
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