[ CAS No. 1173922-30-9 ] {[proInfo.proName]}

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Quality Control of [ 1173922-30-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1173922-30-9 ]

SDS Specification

Alternatived Products of [ 1173922-30-9 ]

Product Details of [ 1173922-30-9 ]

CAS No. :	1173922-30-9	MDL No. :	MFCD18733422
Formula :	C₁₄H₂₁BO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XYJVUQXMTOMREX-UHFFFAOYSA-N
M.W :	248.13	Pubchem ID :	71256749
Synonyms :

Safety of [ 1173922-30-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330	UN#:	N/A
Hazard Statements:	H302-H315-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1173922-30-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 1173922-30-9 ]
Downstream synthetic route of [ 1173922-30-9 ]

[ 1173922-30-9 ] Synthesis Path-Upstream 1~1

1
[ 1173922-30-9 ]
[ 1351956-00-7 ]
[ 149104-90-5 ]

Yield	Reaction Conditions	Operation in experiment
61%	With air In aq. phosphate buffer; N,N-dimethyl-formamide at 20℃; for 120 h; Microbiological reaction; Enzymatic reaction	General procedure: The appropriate racemic alcohol (0.5 mmol) diluted in dimethylformamide (2 mL) was added under sterile conditions into 500 mL Erlenmeyer flask containing 8.2 g of wet cells resuspended in 100 mL phosphate buffer solution (pH 7.0, 100 mmol/L). The reaction was maintained at 20 °C and 400 rpm, for 120 h. The reaction mixture was extracted for 24 h using a continuous liquid–liquid extractor with dichloromethane (300 mL). The organic layer was dried over MgSO₄ and solvent evaporated under reduced pressure. Crude products were purified by column chromatography using n-hexane/ethyl acetate as eluent.

Reference： [1] Journal of Molecular Catalysis B: Enzymatic, 2014, vol. 110, p. 117 - 125

[ 1173922-30-9 ] Synthesis Path-Downstream 1~5

1
[ 108-86-1 ]
[ 1173922-30-9 ]
[ 3562-73-0 ]

Reference： [1]Organic Letters,2009,vol. 11,p. 3052 - 3055

2
[ 171364-81-1 ]
[ 1173922-30-9 ]

Yield	Reaction Conditions	Operation in experiment
99%	With sodium tetrahydroborate; In ethanol; at 20℃;Cooling with ice;	4-acetylphenyl boronic acid (3.0 g, 12.2 mmol) was dissolved in anhydrous ethanol (30 ml) and cooled in an ice/water bath. NaB (1.15 g, 30.5 mmol) was added at once as a solid. After stirring overnight at room temperature, the solution was cooled in an ice-water bath and treated with IN HC1 (20 ml). The mixture was then extracted with ethyl acetate, dried over sodium sulfate, filtered and concentrated under vacuum. The crude product obtained was purified with flash chromatography to give the product as a white solid (2.98g, 99%). 1H NMR (300 MHz, CD2C12, delta): 7.75 (m, 2H), 7.39 (m, 2H), 4.90 (q, J = 6.0 Hz), 1.47 (d, J = 6.0 Hz), 1.32 (s, 12H).

Reference： [1]Patent: WO2013/25885,2013,A1 .Location in patent: Paragraph 0098
[2]Organic Letters,2009,vol. 11,p. 3052 - 3055
[3]Journal of Molecular Catalysis B: Enzymatic,2014,vol. 110,p. 117 - 125

3
[ 1173922-30-9 ]
[ 1173922-36-5 ]
[ 1351956-00-7 ]
[ 171364-81-1 ]

Yield	Reaction Conditions	Operation in experiment
44%	With air; In aq. phosphate buffer; N,N-dimethyl-formamide; at 20℃; for 120h;Microbiological reaction; Enzymatic reaction;Catalytic behavior;	General procedure: The appropriate substrate (40 muL from a 0.25 mol/L solution in DMF) was added under sterile conditions into polypropylene microtiter plates containing 164 mg wet cells resuspended in 2 mL phosphate buffer solution (pH 7.0, 100 mmol/L). The reaction was maintained at 20 C and 400 rpm, under air or O2 (for reaction times, see Tables 1-3 in Section 3). The reaction mixture was extracted by stirring with tert-butyl methyl ether (2 mL) followed by centrifugation (6000 rpm, 1 min). The organic phase was analyzed by GC using a chiral capillary column.

Reference： [1]Journal of Molecular Catalysis B: Enzymatic,2014,vol. 110,p. 117 - 125

4
[ 371-27-7 ]
[ 1173922-30-9 ]
(S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl butyrate [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2017,vol. 15,p. 8836 - 8844

5
[ 1173922-30-9 ]
[ 726169-75-1 ]
C₂₈H₃₂BrNO [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate In 1,4-dioxane; water at 80℃; for 6h; Inert atmosphere;	3.4 (4) Take the product obtained in step (1) 500mg,Add 20 ml of 1,4-dioxane solution and4mL water mixture,One equivalent of (4- (1-hydroxyethyl)) phenylboronic acid was added,10% equivalent of tetrakis (triphenylphosphine) palladium,3 equivalents of cesium carbonate at 80 under argon,After 6 hours of reaction, the product (TM-4) was obtained by column chromatography.

Reference： [1]Current Patent Assignee: CHINESE ACADEMY OF SCIENCES; Institute of Chemistry (in: CAS) - CN107445885, 2017, A Location in patent: Paragraph 0168; 0172

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Application In Synthesis of [ 1173922-30-9 ]

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
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Prevention
Code	Phrase
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P222	Do not allow contact with air.
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P233	Keep container tightly closed.
P234	Keep only in original container.
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P270	Do not eat, drink or smoke when using this product.
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Code	Phrase
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P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
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P330	Rinse mouth.
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P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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P361	Remove/Take off immediately all contaminated clothing.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
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P411
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P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
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Ghs Hazard Statements

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
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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
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Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H316	Causes mild skin irritation
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H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 1173922-30-9 ] {[proInfo.proName]}

Quality Control of [ 1173922-30-9 ]

Related Doc. of [ 1173922-30-9 ]

Product Details of [ 1173922-30-9 ]

Safety of [ 1173922-30-9 ]

Application In Synthesis of [ 1173922-30-9 ]

[ 1173922-30-9 ] Synthesis Path-Upstream 1~1

[ 1173922-30-9 ] Synthesis Path-Downstream 1~5

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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