[ CAS No. 913835-70-8 ]

Name: 913835-70-8|(4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl)boronic acid|98%
Brand: Ambeed
SKU: A364945
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Quality Control of [ 913835-70-8 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 913835-70-8 ]

CAS No. :	913835-70-8	MDL No. :	MFCD08436062
Formula :	C₉H₉BN₂O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	203.99 g/mol	Pubchem ID :	-
Synonyms :

Calculated chemistry of of [ 913835-70-8 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.11
Num. rotatable bonds :	2
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	54.53
TPSA :	79.38 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.03 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.72
Log Po/w (WLOGP) :	-0.28
Log Po/w (MLOGP) :	-0.02
Log Po/w (SILICOS-IT) :	-0.26
Consensus Log Po/w :	0.03

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.97
Solubility :	2.19 mg/ml ; 0.0107 mol/l
Class :	Very soluble
Log S (Ali) :	-1.97
Solubility :	2.21 mg/ml ; 0.0108 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.67
Solubility :	0.439 mg/ml ; 0.00215 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.61

Safety of [ 913835-70-8 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 913835-70-8 ]

* 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.

Downstream synthetic route of [ 913835-70-8 ]

[ 913835-70-8 ] Synthesis Path-Downstream 1~11

1
6-chloro-4-ethoxy-pyrido[3,2-d]pyrimidin-2-ylamine [ No CAS ]
[ 913835-70-8 ]
[ 1036386-53-4 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate In 1,2-dimethoxyethane; water at 150℃; for 0.166667h; Microwave irradiation;	85 Examples 85 to 87 - synthesis of 6-benzamido-4-ethoxy-pyridor3,2-cflpyrimidin-2-yl- aminesVarious 6-benzamido-4-ethoxy-pyrido[3,2-c/]pyrimidin-2-ylamines were synthesized according to general synthetic sequence outlined in Scheme 17.Scheme 17A mixture of 6-chloro-4-ethoxy-pyrido[3,2-cf]pyrimidin-2-ylamine (15 mg), potassium carbonate (16 mg), tetrakis(triphenylphosphine) palladium (10 mg) and a suitable aryl-boronic acid, or a pinacol ester thereof, (0.08 mmol) in DME (1.5 ml.) and water (0.5 ml_) was heated to 12O0C for 10 minutes by microwave. Solvents were concentrated in vacuuo and the residue was purified by RP HPLC, using a C18 column with a gradient of H2O, 0.1 % TFA-acetonitrile, to provide the desired product. This procedure provided, with yields ranging from 10% to 60% depending upon the aryl group introduced at the 6-position of the pyrido[3,2-c/]pyrimidine ring, the following pure compounds which were characterized by their mass spectrum MS as indicated in the following table 12.

Reference： [1]Current Patent Assignee: GILEAD SCIENCES INC - WO2008/77649, 2008, A1 Location in patent: Page/Page column 63

2
[ 913835-70-8 ]
[ 1314883-33-4 ]
[ 1314882-73-9 ]

Yield	Reaction Conditions	Operation in experiment
42%	With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate In 1,4-dioxane; water at 90℃; for 14h; Inert atmosphere;

Reference： [1]González Cabrera, Diego; Douelle, Frederic; Younis, Yassir; Feng, Tzu-Shean; Le Manach, Claire; Nchinda, Aloysius T.; Street, Leslie J.; Scheurer, Christian; Kamber, Jolanda; White, Karen L.; Montagnat, Oliver D.; Ryan, Eileen; Katneni, Kasiram; Zabiulla, K. Mohammed; Joseph, Jayan T.; Bashyam, Sridevi; Waterson, David; Witty, Michael J.; Charman, Susan A.; Wittlin, Sergio; Chibale, Kelly [Journal of Medicinal Chemistry, 2012, vol. 55, # 24, p. 11022 - 11030]

3
[ 913835-70-8 ]
[ 1453852-15-7 ]
[ 1453852-68-0 ]

Yield	Reaction Conditions	Operation in experiment
61.4%	With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ In methanol; toluene at 95℃; Inert atmosphere; Sealed tube;	31 Preparation of COMPOUND 104 (2R,3S,4R,5S,6R)-2-(Hydroxymethyl)-6-[2-methyl-3-[4-(5-methyl-l,3,4-oxadiazol-2- yl)phenyl]phenyl]tetrahydropyran-3,4,5-triol In 10 mL microwave vial, to a solution of COMPOUND 76 (31.0 mg, 0.09 mmol) and [4-(5-methyl-l,3,4-oxadiazol-2-yl)phenyl]boronic acid (28.5 mg, 0.14 mmol) in toluene (2.5 mL) and methanol (0.5 mL) is added powdered K3PO4 (39.5 mg, 0.186 mmol) in one portion, degassed (house vacuum/^ flush), Pd(PPh3)4 (16.1 mg, 0.014 mmol) is added in one portion and sealed and heated at 95 °C overnight, filtered through 0.4 micron filter, concentrated and purified by reverse phase HPLC to afford the title compound (24 mg, 61.4%) as white solid XH NMR (400 MHz, CD3OD) δ 8.07 (d, J = 8.3 Hz, 2H), 7.55 (d, J = 7.5 Hz, 1H), 7.48 (d, J = 8.3 Hz, 2H), 7.28 (t, J = 7.7 Hz, 1H), 7.16 (d, J = 6.7 Hz, 1H), 5.20 (d, J = 7.0 Hz, 1H), 4.26 (dd, J = 6.9, 3.3 Hz, 1H), 4.08 - 3.97 (m, 2H), 3.88 - 3.80 (m, 1H), 3.75 (dd, J = 11.9, 3.8 Hz, 1H), 3.68 - 3.58 (m, 1H), 2.63 (s, 3H), 2.32 (s, 3H). LC-MS: m/z = 413.37 (M+H+).

Reference： [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2013/134415, 2013, A1 Location in patent: Page/Page column 137

4
[ 913835-70-8 ]
[ 1453852-17-9 ]
[ 1453852-72-6 ]

Yield	Reaction Conditions	Operation in experiment
34.7%	With sodium 2'‐(dicyclohexylphosphaneyl)‐2,6‐diisopropyl‐[1,1'‐biphenyl]‐3‐sulfonate; palladium diacetate; potassium carbonate In 2-methyltetrahydrofuran; water at 90℃; for 20h;	31 Preparation of COMPOUND 106 (2R,3S,4R,5S,6R)-2-[2-Fluoro-3-[4-(5-methyl-l,3,4-oxadiazol-2-yl)phenyl]phenyl]-6- (hydroxymethyl)tetrahydropyran-3 ,4,5-triol To a degassed mixture of [3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxy- phenyl]sulfonyloxysodium (84.3 mg, 0.1644 mmol), COMPOUND 78 (50 mg, 0.1644 mmol), [3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxy-phenyl]sulfonyloxysodium (84.3 mg, 0.164 mmol), [4-(5-methyl-l,3,4-oxadiazol-2-yl)phenyl]boronic acid (50.30 mg, 0.2466 mmol) and K2C03 (114 mg, 0.82 mmol) in 2-Me THF (1.2 mL) and water (240 μ,) is added Palladium (II) acetate (18.5 mg, 0.082 mmol), reaction mixture is slowly heated to 90 °C, stirrer for 20 hours, filtered through celite, washed with 10%H2O-methanol, concentrated, purified on 25 g CI 8 SNAP silica gel cartridge using acetonitrile in water (10% to 40%) as eluent, followed by further purification on reverse phase HPLC to afford the title compound (25 mg, 34.7%) as white solid. XH NMR (400 MHz, CD3OD) δ 8.11 - 8.04 (m, 2H), 7.72 (dd, J = 8.3, 1.3 Hz, 2H), 7.70 - 7.64 (m, 1H), 7.45 (td, J = 7.5, 1.6 Hz, 1H), 7.30 (t, J = 7.7 Hz, 1H), 5.23 (d, J = 7.2 Hz, 1H), 4.19 (dd, J = 7.2, 2.4 Hz, 1H), 4.11 - 4.01 (m, 1H), 3.90 - 3.74 (m, 4H), 2.62 (s, 3H). LC-MS: m/z = 417.19 (M+H+).

Reference： [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2013/134415, 2013, A1 Location in patent: Page/Page column 139

5
[ 913835-70-8 ]
[ 1453855-56-5 ]
(2R,3R,4R,5R,6R)-2-(acetoxymethyl)-6-(4'-(5-methyl-1,3,4-oxadiazol-2-yl)-[1,1'-biphenyl]-3-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydrogencarbonate In 1,4-dioxane at 90℃; for 4h; Inert atmosphere;	12.IV Step TV⁷: (2R,3R,4R,5R,6R)-2-(acetoxymethyl)-6-(4'-(5-methyl-l,3,4-oxadiazol-2-yl)-[l, l'- biphenyl]-3-yl)tetrahydro-2H-pyran-3,4,5-triyl triacetate In a 1L 3 necks round bottom flask equipped with a condenser, heating mantle, magnetic stirrer and N 2 inlet is dissolved [(2R,3R,4R,5R,6R)-3,4,5-triacetoxy-6-(3- bromophenyl)tetrahydropyran-2-yl]methyl acetate (18.1 g, 37.14 mmol) , [4-(5 -methyl- 1,3,4- oxadiazol-2-yl)phenyl]boronic acid (12.50 g, 61.28 mmol) and sodium bicarbonate (132.6 mL of 1.4 M, 185.7 mmol) in dioxane (543.0 mL). Pd(PPh3)4 (4.292 g, 3.714 mmol) is then added and the mixture (yellow thick slurry) is stirred at 90°C for 4h. The reaction mixture is cooled to room temperature, filtered over celite to remove inorganic salts and the filtrate is concentrated. The residue is dissolved back in 250mL of EtOAc, adsorb on 50 g of silca gel then purify in two batches on 340g Snap Ultra cartridge with a gradient from 30-80% EtOAc/Hexanes. The appropriated fractions are merged, and then evaporated to afford the title compound (11.74g, 56%) XH NMR (400 MHz, Chloroform-d) δ 8.13 (d, J = 8.4 Hz, 2H), 7.84 - 7.76 (m, 3H), 7.63 (dd, J = 5.8, 2.0 Hz, 1H), 7.54 (dd, J = 4.9, 1.7 Hz, 2H), 6.08 (t, J = 3.1 Hz, 1H), 5.37 (t, J = 9.0 Hz, 1H), 5.20 (dd, J = 9.2, 3.0 Hz, 2H), 4.38 (dd, J = 12.1, 6.6 Hz, 1H), 4.19 - 4.06 (m, 1H), 3.83 (ddd, J = 9.0, 6.6, 2.6 Hz, 1H), 2.64 (s, 3H), 2.19 (s, 3H), 2.09 (s, 3H), 2.08 (s, 3H), 2.04 (s, 1H), 2.02 (s, 3H), 1.59 (s, 2H), 1.26 (t, J = 7.2 Hz, 1H).

Reference： [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2013/134415, 2013, A1 Location in patent: Page/Page column 99

6
[ 913835-70-8 ]
4-bromo-1-isopropyl-7-methyl-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-1H-indole-6-carboxamide [ No CAS ]
1-isopropyl-7-methyl-4-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-1H-indole-6-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
43%	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ In 1,4-dioxane; water at 80 - 85℃; for 16.5h; Inert atmosphere;	54 Example 54: l-Isopropyl-7-methyl-4-(4-(5-methyl-l,3,4-oxadiazol-2-yl)phenyl)-N-((6-methyl-2- oxo-4-propyl-l,2-dihydropyridin-3-yl)methyl)-lH-indole-6-carboxamide To a solution of 4-bromo-l-isopropyl-7-methyl-N-((6-methyl-2-oxo-4-propyl-l,2-dihydro pyridin-3-yl)methyl)-lH-indole-6-carboxamide (Example 30, 300 mg, 0.654 mmol) and (4-(5-methyl-l,3,4-oxadiazol-2-yl)phenyl)boronic acid (187 mg, 0.916 mmol) in 1,4- dioxane (5 mL) was added water (2.500 mL) and bubbled argon gas for 30 minutes. PdCi2(dppf)-CH2Cl2 adduct (53.4 mg, 0.065 mmol) was added and the reaction mass was stirred at 80-85 °C for 16 h. After completion of reaction, the reaction mixture was cooled to RT, filtered through celite, added water, extracted with ethyl acetate, concentrated and purified by column chromatography (silica gel, 5 % MeOH in chloroform) to obtain the title compound. Yield: 231 mg (43 ); JH NMR (CDC13, 300 MHz): δ 11.48 (s, 1H), 8.11 (m, 3H), 7.84 (s, 2H), 7.69 (s, 1H), 7.03 (s, 1H), 6.62 (s, 1H), 5.90 (s, 1H), 5.27 (m, 1H), 4.34 (s, 2H), 2.70 (s, 3H), 2.61 (m, 2H), 2.55 (s, 3H), 2.12 (s, 3H), 1.58 (m, 2H), 1.49 (d, 6H, J=6.9Hz), 0.90 (m, 3H); MS (ESI+): m/z 538 (M+l)+; HPLC purity: 93.47 %.

Reference： [1]Current Patent Assignee: PIRAMAL ENTERPRISES LIMITED - WO2015/104677, 2015, A1 Location in patent: Page/Page column 94-95

7
[ 913835-70-8 ]
3-chloro-5-oxadiazol-2-yl pyridine [ No CAS ]
3-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)-5-(1,3,4-oxadiazol-2-yl)pyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
91%	With [1,1-bis(di-tert-butylphosphino)ferrocene]palladium(II)dichloride; cesium acetate In N,N-dimethyl-formamide at 90℃; for 15h; Sealed tube;

Reference： [1]Sajith; Abdul Khader; Muralidharan; Ali Padusha; Nagaswarupa [Journal of Heterocyclic Chemistry, 2015, vol. 52, # 6, p. 1748 - 1757]

8
[ 913835-70-8 ]
C₈H₆ClN₃O [ No CAS ]
3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)pyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%	With [1,1-bis(di-tert-butylphosphino)ferrocene]palladium(II)dichloride; cesium acetate In N,N-dimethyl-formamide at 90℃; for 15h; Sealed tube;

Reference： [1]Sajith; Abdul Khader; Muralidharan; Ali Padusha; Nagaswarupa [Journal of Heterocyclic Chemistry, 2015, vol. 52, # 6, p. 1748 - 1757]

9
[ 913835-70-8 ]
[ 1174429-23-2 ]
3-[p-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-morpholino-4-oxa-1-thia-7-indenone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
4%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate In water; acetonitrile at 80℃; for 3h; Inert atmosphere;	22 Synthesis of Compound 132 3-Bromo-5-morpholino-4-oxa-1thia-7indenone (compound 126) (100 mg, 0.3 mmol) and 4-(5-methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid (83 mg, 0.4 mmol) were dissolved inacetonitrile (2 mL) and treated with 2 M aqueous Na2CO3 (1 mL). The resulting mixture was degassed with nitrogen for 10 minutes. This was treated with Pd[Ph3P]4 (5.4 mg, 4.7 μmol) and the resulting mixture was heated to 80° C. for 3 hours under a nitrogen atmosphere. The reaction mixture was cooled, diluted with ethyl acetate (20 mL) and filtered through Celite. The filtrate was washed with water (20 mL) and the organic phase was separated, dried (Na2SO4), filtered and concentrated in vacuo to yield the crude amine (65 mg). The crude compound was purified by preparative TLC using hexane/ethylacetate (50:50) The purification yielded 3-[p-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5morpholino-4-oxa-1thia-7-indenone (compound 132) (5.2 mg, 0.01 mmol, 4%). HPLC (254 nm)-Rt 0.29 min. MS (ESI) m/z 396.2 [M+H]+. Purity>99.9% by UV (254 nm).

Reference： [1]Current Patent Assignee: SIGNALRX PHARMACEUTICALS INC. - US2015/344494, 2015, A1 Location in patent: Paragraph 0261

10
[ 913835-70-8 ]
methyl 4-bromo-1-(4-bromo-5-(isopropylthio)thiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate [ No CAS ]
methyl 4-bromo-1-(5-(isopropylthio)-4-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)thiazol-2-yl)-3-methyl-1H-pyrazole-5-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
49%	With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); potassium carbonate In tetrahydrofuran at 90℃; for 16h; Sealed tube;	methyl 4-bromo-1-(5-(isopropylthio)-4-(4-(5-methyl-1 ,3,4-oxadiazol-2-yl)phenyl)thiazol-2-yl)- 3-methyl-1 H-pyrazole-5-carboxylate In a 5 ml_ glass microwave vial equipped with a magnetic stirring bar and nitrogen flow at room temperature was placed methyl 4-bromo-1-(4-bromo-5-(isopropylthio)thiazol-2- yl)-3-methyl-1 H-pyrazole-5-carboxylate prepared as described above with respect toCompound 1 (100 mg, 0.220 mmol), (4-(5-methyl-1 ,3,4-oxadiazol-2-yl)phenyl)boronic acid (38.1 mg, 0.187 mmol) and K2C03(152 mg, 1.10 mmol),nitrogen and vacuum cycles were performed (2x). Nitrogen gas was bubbled through a solution of THF (2 ml_) and then the solution was added to the microwave vial, followed by the addition of the catalyst Pd(dtbpf)CI2(14.3 mg, 0.022 mmol). The vial was capped and placed in an oil bath at 90 °C for 16 h. The solvent was evaporated under vacuum and the crude product was purified by flash chromatography on silica gel (dry packing) using a solution of EtOAc in hexanes (0 to 50% gradient) and afforded the title compound (57.8 mg, 0.108 mmol, 49%) as brown oil.

Reference： [1]Current Patent Assignee: BANTAM PHARMACEUTICAL LLC - WO2018/102453, 2018, A1 Location in patent: Paragraph 149; 150

11
[ 913835-70-8 ]
C₁₅H₁₈BrN₇O₂*(x)ClH [ No CAS ]
4-((1R,3R)-3-((3-bromo-1-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)cyclopentane-1-carbonyl)piperazin-2-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With oxygen; copper diacetate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide Heating;	VI.B.22 General Synthesis Procedure B: Chan-Lam coupling Example 22 General procedure: Optionally substituted with R’ at 6-position 3-bromo-lH-pyrazolo[3,4-d]pyrimidin (0.3 mmol), boronic acid (1.2 eq), copper (II) acetate (0.3 eq), N,N-diisopropylethylamine (5 eq) and DMF (1.2 mL) were put in 2 dram vial and an 02 balloon was attached. The reaction was heated under oxygen atmosphere at 60 - 90 °C for 1 - 15 hours and conversion was followed by LCMS and/or TLC. The crude reaction mixture was concentrated and purified by reverse-phase HPLC (5% to 100% MeCN/water with 0.1% TFA gradient over 30 minutes) to afford the desired product. If a pinacol ester was used instead of boronic acid, then loading of copper (II) acetate was increased to 1.5 equivalents, and no N,N-diisopropylethylamine was added. 4-((lR,3R)-3-((3-bromo-l-(4-(5-methyl-l,3,4-oxadiazol-2-yl)phenyl)-lH- pyrazolo[3,4-d]pyrimidin-6-yl)amino)cyclopentane-l-carbonyl)piperazin-2-one was prepared employing general synthesis procedure E(a) using piperazin-2-one, followed by general synthesis procedure D(a) using product from the previous step and Precursor I (at the workup step the mixture was acidified to pH 3 instead of pH 7), followed by general synthesis procedure B with product from the previous step and (4-(5-methyl-l,3,4-oxadiazol-2- yl)phenyl)boronic acid. NMR (400 MHz, DMSO-d6) d 8.78 (s, 1H), 8.55 - 8.45 (m, 2H), 8.13 (d, J= 8.3 Hz, 2H), 4.39 - 4.30 (m, 1H), 4.10 (s, 1H), 3.98 (s, 1H), 3.71 - 3.57 (m, 2H), 3.23 - 3.13 (m, 2H), 2.58 (s, 3H), 2.12 - 1.94 (m, 3H), 1.85 - 1.63 (m, 3H) ppm. LCMS [M+H] 566.1.

Reference： [1]Current Patent Assignee: RAPT THERAPEUTICS INC - WO2019/236631, 2019, A1 Location in patent: Paragraph 0552-0553; 0586

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P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
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.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
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.
P381	Eliminate all ignition sources if safe to do so.
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.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
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
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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
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
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
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. 913835-70-8 ]

Quality Control of [ 913835-70-8 ]

Related Doc. of [ 913835-70-8 ]

Product Details of [ 913835-70-8 ]

Calculated chemistry of of [ 913835-70-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 913835-70-8 ]

Application In Synthesis of [ 913835-70-8 ]

[ 913835-70-8 ] Synthesis Path-Downstream 1~11

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry