4-Benzyloxy-2-methylphenylboronic acid
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4-Benzyloxy-2-methylphenylboronic acid
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CAS No:
847560-49-0
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Formula:
C14H15BO3
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Chemical Name:
4-Benzyloxy-2-methylphenylboronic acid
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Synonyms:
4-BENZYLOXY-2-METHYLPHENYLBORONIC ACID;4-BENZYLOXY-2-METHYLBENZENEBORONIC ACID;AKOS BRN-0589;5-Benzyloxytoluene-2-boronic acid
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CAS No:
Safety Information
IRRITANT, IRRITANT-HARMFUL
36/37/38-20/21/22
26-36/37/39-36
Xn
Harmful
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-Benzyloxy-2-methylphenylboronic acid Use and Manufacturing
A mixture of C22 (1.00 g, 3.13 mmol), To a mixture of C3 (10 g, 29 mmol), 49B. 2-((2S, 4S)-1-(4-(4-(benzyloxy)-2-methylphenoxy)phenyl)-4-(trifluoromethyl)pyrrolidin-2-yl)acetonitrile 49A (0.030 g, 0.11 mmol), Step 1 2-AMINO-4- (4-BENZYLOXY-2-METHYL-PHENYL)-THIENO [2, 3-d] pyrimidine-6- carboxylic acid ethyl ester 2-METHYL-4-BENZYLOXYPHENYLBORONIC acid (225 mg; 0.93 MMOL) was added to 2-Amino-4-chloro-thieno [2, 3-d] PYRIMIDINE-6-CARBOXYLIC acid ethyl ester (step 1) (200 mg; 0.776 MMOL) in DMF (10ML). NAHCO3 (1. OM aq. Solution ; 2.33 mL) was added and mixture degassed with N2. PD (PPH3) 2C12 was added and reaction mixture heated at 80 degrees C for 5 hours Reaction mixture was allowed to cool to room temperature and DMF removed in vacuo. The residue was partitioned between ethyl acetate (50 mL) and sat. NaCI (aq) (50 mL) Organic phase was dried over NA2SO4 and filtered, filtrate solvents removed in vacuo to afford a yellow oil which was purified by ion-exchange chromatography (IST SCX-2 column) to afford product as a brown-yellow solid (230 mg ; 71%) LC-MS retention time: 2.852 minutes, [M+H] 420 (Run time 3.75mins)
suzuki reaction
Computed Properties
Molecular Weight:242.08
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:242.1114245
Monoisotopic Mass:242.1114245
Topological Polar Surface Area:49.7
Heavy Atom Count:18
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Benzyloxy-2-methylphenylboronic acid
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