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Cas Database

Name	2,6-Dimethyl-L-tyrosine	EINECS	N/A
CAS No.	123715-02-6	Density	1.242 g/cm³
PSA	83.55000	LogP	1.66370
Solubility	N/A	Melting Point	239-240 °C (decomp)
Formula	C₁₁H₁₅NO₃	Boiling Point	412.758 °C at 760 mmHg
Molecular Weight	209.245	Flash Point	203.429 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	L-2',6'-Dimethyltyrosine;2,6-Dimethyl-L-tyrosine;(S)-2-Amino-3-(4-hydroxy-2,6-dimethylphenyl)propionic acid;	Article Data	9

2,6-Dimethyl-L-tyrosine Synthetic route

: 1185756-58-4
C44H50N2O8

: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
With hydrogen iodide for 3h; Reflux;	100%

: C21H30N2O4S

: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water at 0℃; for 3h;	94.8%

: O-ethoxy-2,6-dimethyl-L-tyrosine

: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
With hydrogen iodide for 4h; Reagent/catalyst; Reflux;	91%

: 99953-00-1
(S)-N-Boc-2,6-dimethyltyrosine

: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
With hydrogenchloride In water	83%

: (2S)-2-amino-1-((6R,7aR)-8,8-dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one

: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran at 0℃; for 1h;	82%

: C34H32ClN3NiO4

A: 1616506-47-8
(R)-N-(2-benzoyl-4-chlorophenyl)-2-((1-phenylethyl)amino)acetamide

B: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 50℃; for 4h;	A n/a B 75.1%

: 126312-59-2
N-Acetyl-2,6 dimethyl-O-methyl-(S)-tyrosine methyl ester

: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
With hydrogen bromide Heating;

: 90609-47-5
1-iodo-2,6-dimethyl-4-methoxybenzene

: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: Et3N / Pd(OAc)2, tri-o-tolylphosphine / acetonitrile / Heating 2: H2 / BF4 / ethyl acetate / 60 °C 3: 48percent HBr / Heating View Scheme

: 126312-58-1
Methyl-(Z)-α-acetamido-β-(2,6-dimethyl-4methoxyphenyl) acrylate

: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2 / BF4 / ethyl acetate / 60 °C 2: 48percent HBr / Heating View Scheme

: 1255098-61-3
N-acetyl-2,6-dimethyl-DL-tyrosine

A: 1310488-05-1
(R)-N-acetyl-2,6-dimethyltyrosine

B: 123715-02-6
H-Dmt

Conditions

Conditions	Yield
With acylase I from porcine kidney; cobalt(II) chloride; sodium hydroxide at 40℃; for 24h; pH=8; aq. phosphate buffer; Enzymatic reaction; optical yield given as %ee; enantioselective reaction;

2,6-Dimethyl-L-tyrosine Specification

The CAS register number of 2,6-Dimethyl-L-tyrosine is 123715-02-6. It also can be called as L-Tyrosine,2,6-dimethyl- and the IUPAC name about this chemical is (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid. The molecular formula about this chemical is C₁₁H₁₅NO₃and the molecular weight is 209.24. It belongs to the following product categories, such as Pharmacetical; Benzene series; API intermediates; Non-natural amino acids and so on.

Physical properties about 2,6-Dimethyl-L-tyrosine are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): -1.2; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.77Å²; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 57.02 cm³; (14)Molar Volume: 168.4 cm³; (15)Polarizability: 22.6x10^-24cm³; (16)Surface Tension: 56.7 dyne/cm; (17)Enthalpy of Vaporization: 70.16 kJ/mol; (18)Boiling Point: 412.8 °C at 760 mmHg; (19)Vapour Pressure: 1.49E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc1c(cc(O)cc1C)C
(2)InChI: InChI=1/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
(3)InChIKey: LSNDLIKCFHLFKO-JTQLQIEIBF
(4)Std. InChI: InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
(5)Std. InChIKey: LSNDLIKCFHLFKO-JTQLQIEISA-N

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