Basic information
- CAS
23680-31-1- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O- InChIKey
DMBKPDOAQVGTST-LBPRGKRZSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid
- English name
- N-BOC-O-Benzyl-L-serine
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
N-((1,1-Dimethylethoxy)carbonyl)-O-(phenylmethyl)-L-serineL-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-N-[(1,1-Dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-serineDTXSID70885240L-Serine, N-((1,1-dimethylethoxy)carbonyl)-O-(phenylmethyl)-RefChem:797673DTXCID201024633245-820-1Boc-Ser(Bzl)-OH23680-31-1Boc-O-benzyl-L-serineN-Boc-O-benzyl-L-serine
Show more names
BOC-SER-OTBUBOC-1-SER-OHBOC-SER(BU)-OHBoc-Ser(Bz1)-OHBOC-SER(TBU)-OHBOC-SER(BUT)-OHBoc-Ser(Bzl)-0HBOC-Ser (Obzl) OH
(S)-3-(Benzyloxy)-2-((tert-butoxycarbonyl)amino)propanoic acidMFCD00066063o-benzyl-n-(tert-butoxycarbonyl)-l-serineN-(tert-Butoxycarbonyl)-O-benzyl-L-serineN-tert-Butoxycarbonyl-O-benzyl-L-serineO-Benzyl-N-tert-butyloxycarbonylserineAlanine, 3-(benzyloxy)-N-carboxy-, N-tert-butyl ester, L-(2S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
Database identifiers
- CAS
23680-31-1- PubChem CID
- 90234
- DTXSID
DTXSID70885240- ChEMBL
CHEMBL4958658- EC Number
- 245-820-1
- Nikkaji
- J242.646C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 58 · 58-60 °C(lit.)
- alpha
- 21.5 · 21.5 º (c=2, ethanol)
- Boiling point
- 437.02 °C · 437.02°C (rough estimate)
- Density
- 1.1454 · 1.1454 (rough estimate)
- refractive index
- 22 ° · 22 ° (C=2, EtOH)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Solid
- pka
- 3.53 · 3.53±0.10(Predicted)
- color
- White to Almost white
- optical activity
- 20 · [α]20/D +20±1°, c = 2% in ethanol: water (4:1)
- BRN
- 3064461 · 3064461
- Major Application
- peptide synthesis
- 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-/m0/s1
- InChIKey
- DMBKPDOAQVGTST-LBPRGKRZSA-N
- SMILES
- CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(O)=O
- CAS DataBase Reference
- 23680 · 23680-31-1(CAS DataBase Reference)
- EPA Substance Registry System
- N-tert-Butoxycarbonyl-O-benzyl-L-serine (23680-31-1)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 24 · 24/25-36-26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2924 · 2924 29 70
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- 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
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-: ACTIVE
Applications
UsesN-Boc-O-benzyl-L-serine, is an amino acid building block used in peptide synthesis. With a growing peptide drug market the fast, reliable synthesis of peptides is of great importance.
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]
Wuhan Chemwonders Technology Inc.027-85778276 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
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Related reactions
67 records
Compound notes
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