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CAS No. :	37169-36-1
Formula :	C₁₅H₂₁NO₆
M.W :	311.33
SMILES Code :	O=C(OC)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(O)C(O)=C1
MDL No. :	MFCD20260285
InChI Key :	VURIGNDVTSFLOU-JTQLQIEISA-N
Pubchem ID :	14889488

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H332-H335
Precautionary Statements:	P261-P280-P305+P351+P338

Yield	Reaction Conditions	Operation in experiment
96%	With sodium hydrogencarbonate; In tetrahydrofuran; water; at 0 - 20℃; for 16h;	At 0 C,Sodium bicarbonate (50.4 g, 0.6 mol) was slowly added to (S)-2-amino-3-(3,4-methylenedioxyphenyl)propanoic acid methyl ester hydrochloride (74.3 g, 0.3 mol) In a 300 mL aqueous solution, a solution of Boc2O (74.3 g, 0.3 mol) in tetrahydrofuran (150 mL) was slowly added dropwise to the mixture. After the addition was completed, the mixture was gradually warmed to room temperature and stirred for 16 hours. Most of the solvent was removed by concentration, and then extracted with ethyl acetate. Water and brine were washed and dried over anhydrous sodium sulfate.Concentration gave the product (S)-methyl 2-(tert-butoxycarbonylamino)-3-(3,4-methylenedioxyphenyl)propanoate (ie compound 8) (89.6 g) The yield was 96%.
85%	With sodium hydrogencarbonate; In tetrahydrofuran; water; at 20℃; for 1h;	Toan ice-cold solution of 6 (0.9 g,3.6 mmol) in THF (6.5 mL), a saturated aqueous solution of NaHCO3(6.5 mL) and a solution of di-tert-butyl-dicarbonate (0.87 g, 4.0 mmol) in THF (4.0 mL) were addedsuccessively. The resulting reaction mixture was stirredat ambient temperature for 1 h and then evaporated to remove organic solvent.The aqueous phase was extracted thrice with CH2Cl2. Thecombined organic layers were washed with brine, dried over Na2SO4and evaporated to dryness. The residue was triturated with Et2O andrefrigerated. Compound 7was obtainedafter filtration under vacuo.
76%	With sodium hydrogencarbonate; In tetrahydrofuran; water; for 1.5h;Cooling with ice;	DOPA-OMe hydrochloride (1.26 g, 5.11 mmol) was dissolved in tetrahydrofuran (10 ml), saturated aqueous sodium bicarbonate solution (8 ml) was added, and the mixture was cooled in an ice bath. To this solution was added BocO (1.00 ml, 4.35 mmol), and the mixture was warmed to room temperature and stirred for 1.5 hr. The reaction mixture was concentrated under reduced pressure, and dichloromethane (10 ml) and water (5 ml) were added to the residue, and the mixture was extracted twice with dichloromethane. The organic layer was washed with 10% aqueous citric acid solution (10 ml) and then with 15% brine (10 ml), and dried over magnesium sulfate. The desiccant was filtered off, and the filtrate was concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography (gradient; hexane:ethyl acetate=9:1?1:1) to give Boc-DOPA-OMe (980 mg, 3.15 mmol, yield 76%) as a pale-peach candy-like substance. (0198) 1H-NMR (400 MHz,CDCl3) delta: 1.42 (s, 9H), 2.89-3.01 (m, 2H), 3.71 (s, 3H), 4.49-4.54 (m, 1H), 5.01 (d, 1H, J=8.0 Hz), 5.51 (s, 1H), 5.65 (s, 1H), 6.54 (dd, 1H, J=1.5, 8.0 Hz), 6.65 (br, 1H), 6.76 (d, 1H, J=8.1 Hz). (0199) ESIMS (m/z) : 310.0 ([M-H]-).

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P234	Keep only in original container.
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Code	Phrase
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P321
P322
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P378
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P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
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P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
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P401
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P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
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CAS No.: 37169-36-1

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CAS No.: 37169-36-1

Alternative Products

Product Details of (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3,4-dihydroxyphenyl)propanoate

Safety of (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3,4-dihydroxyphenyl)propanoate

Application In Synthesis of (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(3,4-dihydroxyphenyl)propanoate

[ 37169-36-1 ] Synthesis Path-Downstream 1~1

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed