Basic information
- CAS
18822-58-7- Standard SMILES
CC(C)(C)OC[C@H](N)C(=O)O- InChIKey
DDCPKNYKNWXULB-YFKPBYRVSA-N- Molecular formula
- C7H15NO3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.10519334
Names & identifiers
- Preferred name
- (2S)-2-amino-3-(tert-butoxy)propanoic acid
- IUPAC
- (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid
- English name
- H-Ser(tBu)-OH
- Molecular formula
- C7H15NO3
- Molecular weight
- 161.2
Names & synonyms
(2S)-2-amino-3-(tert-butoxy)propanoic acidRefChem:398298O-(1,1-Dimethylethyl)-L-serine606-131-518822-58-7H-Ser(tBu)-OHO-tert-Butyl-L-serineO-(tert-butyl)-L-serineL-Serine, O-(1,1-dimethylethyl)-(S)-2-Amino-3-(tert-butoxy)propanoic acido-tert-butylserineMFCD00066088
Show more names
Ser(tBu)L-Ser(tBu)-OHH-L-Ser(tBu)-OHH-Ser(Tub)-OHH-SER(BUT)-OHSERINE(TBU)-OH
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acidO-t-BUTYL-L-SERINESerine tert-butyl etherUNII-BX0H592PICBX0H592PICHY-W010156(2S)-2-azaniumyl-3-[(2-methylpropan-2-yl)oxy]propanoateM03139
Database identifiers
- CAS
18822-58-7- PubChem CID
- 7004940
- DTXSID
DTXSID40426482- UNII
- BX0H592PIC
- EC Number
- 606-131-5
- Nikkaji
- J821.869B
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 220 °C · ~220 °C (dec.)
- Boiling point
- 266 · 266.0±30.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 2.11 · 2.11±0.10(Predicted)
- form
- Powder
- color
- White
- optical activity
- Consistent with structure
- Water Solubility
- Soluble in water.
- CAS DataBase Reference
- 18822 · 18822-58-7(CAS DataBase Reference)
- FDA UNII
- 0 H592PIC · BX0H592PIC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): 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)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Safety data
- wgk
- 3
- hs_code
- 29225090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesO-tert-Butyl-L-serine tert-butyl ester hydrochloride is a protected L-serine used in peptide synthesis, e.g. synthesis of glycopeptides and lipopeptides and preparation of amino-phospholipids. O-tert-Butyl-L-serine (Ser(TBU-OH), a serine hydroxyl protected amino acid, is used in SPPS such as the synthesis of tailed cyclic RGD peptides to prevent glutarimide formation.
Upstream & downstream products
Downstream products
Suppliers102 total
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]
江苏生康迈翔科技有限公司18217475093 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
甘肃省百事兴药业有限公司15008395229 15008395229 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司
Related reactions
8 records
Compound notes
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