O-benzyl-L-tyrosine toluene-p-sulphonate

HCID 104540
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
53587-11-4
Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1
InChIKey
PJGVHBLZZQDFFM-RSAXXLAASA-N
Molecular formula
C23H25NO6S
Average molar mass
443.5 g/mol
Monoisotopic mass
443.14025869

Names & identifiers

Preferred name
O-benzyl-L-tyrosine toluene-p-sulphonate
IUPAC
benzyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;4-methylbenzenesulfonic acid
English name
L-Tyrosine benzyl ester p-toluenesulfonate
Molecular formula
C23H25NO6S
Molecular weight
443.51

Names & synonyms

53587-11-4O-Benzyl-L-tyrosine toluene-p-sulphonateEINECS 258-650-8DTXSID90201802RefChem:855200DTXCID80124293L-Tyrosine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)258-650-8H-Tyr-OBzl.TosOHL-Tyrosine benzyl ester tosylateL-Tyrosine Benzyl Ester p-ToluenesulfonateL-Tyrosine benzyl ester p-toluenesulfonate salt
Show more names
Tosbenzyl L-tyrosinate 4-methylbenzenesulfonateTyr.OBzl.TosTyr-OBzl.TosOHH-TYR-OBZL·TOSH-TYR-OBZL TOSL-Tyr-OBzl·TosH-L-Tyr-OBzl*TosL-Tyr-OBzl·TosOH
MFCD00038959benzyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;4-methylbenzenesulfonic acidL-Tyrosine, phenylmethyl ester, 4-methylbenzenesulfonate (salt)M03120L-Tyrosine Benzyl Ester p-MethylbenzenesulfonateL-Tyrosine benzyl ester 4-toluenesulfonateH-Tyr-OBzl TosOHH-Tyr-OBzl.Tos-OH

Database identifiers

CAS
53587-11-4
PubChem CID
104540
DTXSID
DTXSID90201802
EC Number
258-650-8

Properties

Computed structural properties

Topological polar surface area
135 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
31

Physicochemical properties

Melting point
177 °C · 177 °C
refractive index
-13 ° · -13 ° (C=3, MeOH)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form
Solid
color
White to Almost white

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

F
10
wgk
3
hs_code
29224999
risk_code
22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesL-Tyrosine benzyl ester p-toluenesulfonate salt, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Upstream & 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]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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