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135884-31-0

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135884-31-0 Structure

135884-31-0 Structure
IdentificationMore
[Name]

N-Boc-2-pyrroleboronic acid
[CAS]

135884-31-0
[Synonyms]

1-BOC-PYRROLE-2-BORONIC ACID
1-N-BOC-PYRROLE-2-BORONIC ACID
1-(T-BOC)PYRROLE-2-BORONIC ACID
1-(T-BUTOXYCARBONYL)PYRROLE-2-BORONIC ACID
1-(TERT-BUTOXYCARBONYL)-1H-PYRROLE-2-BORONIC ACID
1-TERT-BUTOXYCARBONYL-2-PYRROLYLBORONIC ACID
1-(TERT-BUTOXYCARBONYL)PYRROLE-2-BORONIC ACID
2-BORONO-1H-PYRROLE-1-CARBOXYLIC ACID 1-(1,1-DIMETHYLETHYL) ESTER
AKOS BRN-0257
BOC-2-PYRRYL-BORONIC ACID
BOC-PYRROLE-2-BORONIC ACID
N-BOC-2-PYRROLEBORONIC ACID
N-BOC-2-PYRRYL-BORONIC ACID
N-BOC-PYRROLE-2-BORONIC ACID
N-BOC-PYRRYL-BORONIC ACID
PYRROLE-2-BORONIC ACID, BOC PROTECTED
RARECHEM AH PB 0048
ZERENEX ZX007628
1-(tert-Butoxycarbonyl)-1H-pyrrol-2-ylboronic acid
1H-Pyrrole-2-boronic acid, BOC protected
[Molecular Formula]

C9H14BNO4
[MDL Number]

MFCD01318939
[Molecular Weight]

211.02
[MOL File]

135884-31-0.mol
Questions And AnswerBack Directory
[Synthesis]

The conventional method for synthesizing N-Boc-2-pyrroleboronic acid starts with pyrrole protected by the hydroxyl precursor Boc. Under the action of a suitable strong base (e.g., LDA), the hydrogen atom at the 2-position of the carbon atom is removed to obtain the corresponding organolithium reagent. Trimethyl borate is then added externally, followed by hydrolysis to obtain the final product. It should be noted that the hydrogen removal process needs to be carried out at ultra-low temperatures, generally -78°C.

Synthesis of 135884-31-0

Chemical PropertiesBack Directory
[Appearance]

beige to light brown crystalline powder
[Melting point ]

93-98 °C (dec.) (lit.)
[Boiling point ]

361.4±52.0 °C(Predicted)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

Chloroform, Ethyl Acetate
[form ]

powder
[pka]

8.47±0.53(Predicted)
[color ]

gray solid
[BRN ]

7993875
[InChI]

InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3
[InChIKey]

ZWGMJLNXIVRFRJ-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)C=CC=C1B(O)O
[CAS DataBase Reference]

135884-31-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[F ]

10-21
[Hazard Note ]

Irritant
[TSCA ]

No
[HazardClass ]

KEEP COLD
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

beige to light brown crystalline powder
[Uses]

suzuki reaction
Spectrum DetailBack Directory
[Spectrum Detail]

N-Boc-2-pyrroleboronic acid(135884-31-0)1HNMR
N-Boc-2-pyrroleboronic acid(135884-31-0)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-tert-Butoxycarbonyl-2-pyrrolylboronic acid, 98%(135884-31-0)
[Sigma Aldrich]

135884-31-0(sigmaaldrich)
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