Home Cart Sign in  
Chemical Structure| 408492-29-5 Chemical Structure| 408492-29-5

Structure of 408492-29-5

Chemical Structure| 408492-29-5

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 408492-29-5 ]

CAS No. :408492-29-5
Formula : C14H18BClO4
M.W : 296.55
SMILES Code : O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(Cl)=C1
MDL No. :MFCD11846464
InChI Key :OUPWIYDRPYRHNT-UHFFFAOYSA-N
Pubchem ID :56973098

Safety of [ 408492-29-5 ]

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

Application In Synthesis of [ 408492-29-5 ]

* 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 [ 408492-29-5 ]

[ 408492-29-5 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 2905-65-9 ]
  • [ 25015-63-8 ]
  • [ 408492-29-5 ]
YieldReaction ConditionsOperation in experiment
(Ind)Ir(COD); 1,2-bis(dimethylphosphanyl)ethane; at 150℃; for 3h; Methyl 3-Chloro-5-hydroxybenzoate (5): The general process was applied to <strong>[2905-65-9]methyl 3-chlorobenzoate</strong> (171 mg, 1.0 mmol). The borylation step was carried out neat with HBPin (200 mg, 1.55 mmol) and dmpe (3.0 mg, 0.02 mmol, 2 mol %) at 150 C. for 3 hours. The oxidation step was then performed as described above, after which the crude material was dissolved in ether and passed through a plug of silica gel (pentane/ether 2:1). Evaporation of solvent gave 134 mg phenol 5 (72%) with trace water. Sublimation at 85 C. under 0.06 mm Hg afforded analytically pure 5 as a white solid; mp 133-135 C. (lit. 138-139). 1H NMR (300 MHz, acetone-d6): δ9.2 (brs, 1 H), 7.43 (t, J=1.7 Hz, 1 H), 7.40 (dd, J=2.2, 1.7 Hz, 1 H), 7.10 (t, J=2.2 Hz, 1 H), 3.87 (s, 3 H); 13C NMR (75 MHz, acetone-d6): δ165.9, 159.3, 135.3, 133.8, 121.0, 120.6, 115.7, 52.7; IR (neat): 3335, 1690, 1591, 1431, 1350, 1242, 768 cm-1; LRMS: m/e 186 (M+), 155, 127, 99. Anal. Calcd for C8H7ClO3: C, 51.50; H, 3.78. Found C, 51.78; H, 3.73. For a previous preparation see Takahashi et al., Heterocycles 23: 1483-1491 (1985) (three steps from 3,5-dichlorobenzoic acid, 65% overall yield).
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 408492-29-5 ]

Organoborons

Chemical Structure| 710350-72-4

A881121 [710350-72-4]

Methyl 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.95

Chemical Structure| 1809900-40-0

A468451 [1809900-40-0]

Methyl 2,3-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.93

Chemical Structure| 603122-78-7

A546461 [603122-78-7]

Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.93

Chemical Structure| 334018-52-9

A762790 [334018-52-9]

Methyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.92

Chemical Structure| 625470-33-9

A786667 [625470-33-9]

Methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.92

Aryls

Chemical Structure| 710350-72-4

A881121 [710350-72-4]

Methyl 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.95

Chemical Structure| 1809900-40-0

A468451 [1809900-40-0]

Methyl 2,3-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.93

Chemical Structure| 603122-78-7

A546461 [603122-78-7]

Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.93

Chemical Structure| 334018-52-9

A762790 [334018-52-9]

Methyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.92

Chemical Structure| 625470-33-9

A786667 [625470-33-9]

Methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.92

Chlorides

Chemical Structure| 710350-72-4

A881121 [710350-72-4]

Methyl 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.95

Chemical Structure| 1809900-40-0

A468451 [1809900-40-0]

Methyl 2,3-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.93

Chemical Structure| 603122-78-7

A546461 [603122-78-7]

Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.93

Chemical Structure| 334018-52-9

A762790 [334018-52-9]

Methyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.92

Chemical Structure| 625470-33-9

A786667 [625470-33-9]

Methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.92

Esters

Chemical Structure| 710350-72-4

A881121 [710350-72-4]

Methyl 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.95

Chemical Structure| 1809900-40-0

A468451 [1809900-40-0]

Methyl 2,3-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.93

Chemical Structure| 603122-78-7

A546461 [603122-78-7]

Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.93

Chemical Structure| 334018-52-9

A762790 [334018-52-9]

Methyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.92

Chemical Structure| 625470-33-9

A786667 [625470-33-9]

Methyl 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Similarity: 0.92