Basic information
- CAS
79479-07-5- Standard SMILES
COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O- InChIKey
MZMWAPNVRMDIPS-RQJHMYQMSA-N- Molecular formula
- C10H19NO5
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.12632271
Names & identifiers
- Preferred name
- Methyl N-(tert-butoxycarbonyl)-L-threoninate
- IUPAC
- methyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
- English name
- Methyl N-(tert-butoxycarbonyl)-L-threoninate
- Molecular formula
- C10H19NO5
- Molecular weight
- 233.26
Names & synonyms
79479-07-5Methyl N-(tert-butoxycarbonyl)-L-threoninateDTXSID70463764RefChem:356752DTXCID60414583BOC-THR-OMEN-Boc-L-threonine Methyl Ester(2S,3R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoateBoc-L-Threonine methyl esterMFCD00270479N-(tert-Butoxycarbonyl)-L-threonine methyl esterMethyl (tert-butoxycarbonyl)-L-threoninate
Show more names
Boc-L-Thr-OMeBoc-Thr-OMe-OHN-BOC-L-threonine methylester(Tert-Butoxy)Carbonyl Thr-OMeN-Boc-L-threonine methyl ester, 95%N-Boc-L-threonine methyl ester, 97.5%Boc-L-threonine methyl ester≥ 98% (HPLC)N-(TERT-BUTOXYCARBONYL)-L-THREONINE MET&Methyl N-(tert-butoxycarbonyl)-L-threoninate USP/EP/BP
methyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoateL-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl esterrel-(2S,3R)-methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoateN-(t-butoxycarbonyl)-l-threonine methyl esterM03327EN300-7235886N-(tert-Butoxycarbonyl)-L-threonine methyl ester, 95%167423-98-5
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 206 °C · 206 °C(lit.)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- refractive index
- 20 · n20/D 1.45(lit.)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Dichloromethane (Sparingly), DMF (Sparingly)
- form
- Viscous Liquid
- pka
- 11 · 11.00±0.46(Predicted)
- color
- Yellow
- Water Solubility
- Slightly soluble in water.
- Major Application
- peptide synthesis
- InChI
- 1S/C10H19NO5/c1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4/h6-7,12H,1-5H3,(H,11,14)/t6-,7+/m1/s1
- InChIKey
- MZMWAPNVRMDIPS-RQJHMYQMSA-N
- SMILES
- COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
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
- wgk
- 3
- hs_code
- 29241990
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302+H332-H311-H315-H319
- Precautionary statements
- P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P361-P405-P501c
Chemistry & industry
Applications
UsesN-Boc-L-threonine methyl ester is used as pharmaceutical intermediates and chemical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers85 total
北京华美互利生物化工010-56205725 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
4 records
Compound notes
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