Home Cart Sign in  
Chemical Structure| 139215-43-3 Chemical Structure| 139215-43-3

Structure of 139215-43-3

Chemical Structure| 139215-43-3

*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 [ 139215-43-3 ]

CAS No. :139215-43-3
Formula : C6H2Br2F2
M.W : 271.88
SMILES Code : FC1=CC(Br)=C(Br)C(F)=C1
MDL No. :MFCD00042559
InChI Key :GABNJPUNFZFOJE-UHFFFAOYSA-N
Pubchem ID :2724517

Safety of [ 139215-43-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Application In Synthesis of [ 139215-43-3 ]

* 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 [ 139215-43-3 ]

[ 139215-43-3 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 22237-13-4 ]
  • [ 139215-43-3 ]
  • [ 1232345-09-3 ]
YieldReaction ConditionsOperation in experiment
65% With tetrakis(triphenylphosphine) palladium(0); caesium carbonate; In 1,4-dioxane; at 90℃; for 8h;Inert atmosphere; General procedure: 4.15 2-Bromo-3,5-difluoro-4'-ethoxybiphenyl (4d): Starting with 1 (100 mg, 0.37 mmol), Cs2CO3 (119 mg, 0.37 mmol), Pd(PPh3)4 (3 mol%), 4-ethoxyphenylboronic acid (61 mg, 0.37 mmol), and 1,4-dioxane (4 mL), 4d was isolated as a colorless solid (74 mg, 65%). Mp 111-113 C. 1H NMR (300 MHz, CDCl3): δ = 1.44 (t, J = 6.95 Hz, 3H, CH3), 4.07 (q, J = 6.95, 3H, OCH3), 3.55 (s, 3H, OCH3), 6.83-6.97 (m, 3H, ArH), 7.28-7.34 (m, 3H, ArH). 13C NMR (62.89 MHz, CDCl3): δ = 14.8 (CH3), 63.5 (OCH2), 103.2 (t, J = 27.0 Hz, CH), 113.5 (d, J = 4.0 Hz, CH), 113.7 (dd, J = 22.2, 3.4 Hz, C), 114.1 (2CH), 128.4 (d, J = 6.9 Hz, CH), 128.7 (CH), 130.4 (CH), 133.7 (CH), 141.3 (d, J = 9.4 Hz, C), 159.0 (C), 159.3 (dd, JCF = 247.9, 13.3 Hz, CF), 161.3 (dd, JCF = 249.5, 13.3 Hz, CF). 19F NMR (282.4 MHz, CDCl3): δ = -101.8 (CF), -112.5 (CF). IR (ATR): , 2956 (w), 2926 (w), 2835 (w), 1616 (w), 1596 (w), 1503 (w), 1494 (w), 1455 (w), 1421 (w), 1338 (w), 1287 (w), 1247 (m), 1201 (w), 1180 (w), 1120 (w), 1089 (w), 1024 (m), 928 (w), 877 (w), 865 (w), 800 (w), 755 (w), 744 (m), 701 (w), 635 (w), 586 (m), 537 (w) cm-1. MS (EI, 70 eV): m/z (%) = 312 (61) (79Br) [M]+, 287 (12), 286 (98), 284 (100), 204(10). HRMS (EI) calcd. for C14H11O81BrF2 [M]+: 313.99354; found 313.99349.
  • 2
  • [ 22237-13-4 ]
  • [ 139215-43-3 ]
  • [ 1232345-03-7 ]
YieldReaction ConditionsOperation in experiment
68% With tetrakis(triphenylphosphine) palladium(0); caesium carbonate; In 1,4-dioxane; at 90℃; for 8h;Inert atmosphere; General procedure: 4.7 1,2-Di(4'-ethoxyphenyl)-3,5-difluorobenzene(3e): Starting with 1 (100 mg, 0.37 mmol), Cs2CO3 (263 mg, 0.81 mmol), Pd(PPh3)4 (3 mol%), 4-ethoxyphenylboronic acid (135 mg, 0.81 mmol), and 1,4-dioxane (4 mL) 3e was isolated as a colorless solid (88 mg, 68%). Mp 69-71 C. 1H NMR (300 MHz, CDCl3): δ = 1.36-1.43 (m, 4H, CH2), 3.94-4.03 (m, 6H, OCH3), 6.69-7.01 (m, 10H, ArH). 13C NMR (62.89 MHz, CDCl3): δ = 14.8 (CH3), 14.9 (CH3), 63.2 (OCH2), 63.3 (OCH2), 102.3 (t, J = 26.5 Hz, CH), 112 (dd, J = 21.8, 3.6 Hz, CH), 113.9 (2CH), 114.0 (2CH), 114.7 (2CH), 125.6 (C), 127.7 (C), 130.7 (2CH), 131.0 (C), 132.2 (C), 157.9 (C), 158.1 (C), 160.0 (dd, JCF = 249.2, 12.6 Hz, CF), 161.1 (dd, JCF = 249.2, 13.3 Hz, CF). 19F NMR (282.4 MHz, CDCl3): δ = -110.09 (CF), -112.02 (CF). IR (ATR, cm-1): , 3036 (w), 2975 (w), 2929 (w), 2873 (w), 1730 (w), 1605 (m), 1586 (m), 1511 (m), 1460 (m), 1432 (m), 1393 (m), 1335 (w), 1285 (m), 1239 (s), 1177 (m), 1110 (m), 1046 (m), 997 (m), 934 (w), 867 (m), 819 (s), 758 (m), 647 (w), 616 (m), 594 (w), 559 (m), 536 (m). MS (EI, 70 eV): m/z (%) = 354 (100) [M]+, 326 (21), 298 (30), 297 (22), 251 (24). HRMS (EI) calcd. for C22H20O2F2 [M]+: 354.14259; found 354.14230.
  • 3
  • [ 133730-34-4 ]
  • [ 139215-43-3 ]
  • [ 1232345-05-9 ]
YieldReaction ConditionsOperation in experiment
58% With tetrakis(triphenylphosphine) palladium(0); caesium carbonate; In 1,4-dioxane; at 90℃; for 8h;Inert atmosphere; General procedure: 4.8 1,2-Di(2',4'-dimethoxyphenyl)-3,5-difluorobenzene (3f): Starting with 1 (100 mg, 0.37 mmol), Cs2CO3 (263 mg, 0.81 mmol), Pd(PPh3)4 (3 mol%), <strong>[133730-34-4]2,4-dimethoxyphenylboronic acid</strong> (148 mg, 0.81 mmol), and 1,4-dioxane (4 mL), 3f was isolated as a colorless solid (81 mg, 58%). Mp 96-98 C. 1H NMR (300 MHz, CDCl3): δ = 3.44 (s, 3H, OCH3), 3.56 (s, 3H, OCH3), 3.68 (s, 3H, OCH3), 3.69 (s, 3H, OCH3), 6.20-6.30 (m, 3H, ArH), 6.72-6.85 (m, 3H, ArH), 7.29-7.42 (m, 1H, ArH), 761-766 (m, 1H, ArH). 13C NMR (62.89 MHz, CDCl3): δ = 55.0 (OCH3), 55.2 (OCH3), 55.3 (OCH3), 55.4 (OCH3), 98.1 (d, J = 12.7 Hz, CH), 98.9 (C), 102.4 (d, J = 109.9 Hz, C), 103.8 (d, J = 16.3 Hz, CH), 113.2 (d, J = 14.5 Hz, C), 113.8 (d, J = 16.5 Hz, CH), 115.8 (C), 121.2 (t, J = 9.25 Hz, C), 127.9 (t, J = 21.7 Hz, H), 130.2 (C), 131.4 (CH), 131.9 (C), 134.7 (t, J = 25.5 Hz, CH), 157.5 (d, J = 245.5 Hz, CF), 160.0 (C), 160.3 (C). 19F NMR (282.4 MHz, CDCl3): δ = -110.09 (CF), -113.03 (CF). IR (ATR, cm-1): , 2997 (w), 2921 (w), 2851 (w), 1607 (w), 1579 (w), 1508 (w), 1461 (w), 1435 (w), 1410 (w), 1337 (w), 1280 (w), 1205 (m), 1156 (m), 1124 (w), 1092 (m), 1030 (m), 981 (w), 935 (w), 830 (w), 647 (w), 723 (w), 692 (w), 613 (w), 588 (w), 540 (w). MS (EI, 70 eV): m/z (%) = 386 (100) [M]+, 355 (11). HRMS (EI) calcd. for C22H20O4F2 [M]+: 386.13242; found 386.13250.
  • 4
  • [ 133730-34-4 ]
  • [ 139215-43-3 ]
  • [ 1232345-11-7 ]
YieldReaction ConditionsOperation in experiment
67% With tetrakis(triphenylphosphine) palladium(0); caesium carbonate; In 1,4-dioxane; at 90℃; for 8h;Inert atmosphere; General procedure: 4.18 2-Bromo-3,5-difluoro-2',4'-dimethoxybiphenyl (4g): Starting with 1 (100 mg, 0.37 mmol), Cs2CO3 (119 mg, 0.37 mmol), Pd(PPh3)4 (3 mol%), <strong>[133730-34-4]2,4-dimethoxyphenylboronic acid</strong> (67 mg, 0.37 mmol), and 1,4-dioxane (4 mL), 4g was isolated as a colorless solid (81 mg, 67%). Mp. 64-66 C. 1H NMR (300 MHz, CDCl3): δ = 3.75 (s, 3H, OCH3), 3.89 (s, 3H, OCH3), 6.53-6.57 (m, 2H, Ar), 6.82-6.88 (m, 2H, Ar), 7.04 (d, J = 8.9 Hz, 1H, Ar). 13C NMR (75.46 MHz, CDCl3): δ = 55.4 (OCH3), 55.6 (OCH3), 98.7 (CH), 103.4 (t, J = 26.6 Hz, CH), 104 (CH), 106.9 (dd, J = 20.4, 4.0 Hz, C), 114.5 (dd, J = 22.3, 3.3 Hz, CH), 121.0 (t, J = 2.2, C), 131.1 (CH), 142.9 (d, J = 9.8 Hz, C), 157.4 (C), 159.22 (dd, JCF = 248.0, 13.7 Hz, CF), 161.3 (dd, JCF = 248.6, 13.2 Hz, CF), 161.4 (C). 19F NMR (282.4 MHz, CDCl3): δ = -100.5 (CF), -112.4 (CF). IR (ATR): , 3002 (w), 2958 (w), 2937 (w), 2836 (w), 1692 (s), 1785 (s), 1509 (s), 1463 (m), 1447 (m), 1468 (w), 1435 (s), 1345 (w), 1304 (s), 1281 (m), 1256 (m), 1206 (s), 1146 (m), 1127 (s), 1101 (s), 1031 (s), 997 (s), 924 (m), 833 (s), 796 (m), 716 (w), 637 (w), 599 (s), 587 (m) cm-1. MS (EI, 70 eV): m/z (%) = 330 (81Br) (95) [M]+, 328 (81Br) (93), 329 (15), 331 (14), 235 (15), 234 (100), 219 (35), 204 (12), 191 (20), 175 (26), 163 (13). ESI-HRMS calcd. for C14H1279BrF2O2 [M + H]+: 328.9983; found 328.9979.
  • 5
  • [ 5720-05-8 ]
  • [ 133730-34-4 ]
  • [ 139215-43-3 ]
  • [ 1424359-71-6 ]
YieldReaction ConditionsOperation in experiment
56% General procedure: 5.1 1-(4'-Methylphenyl)-2-(2",4"-dimethoyphenyl)-3,5-difluorobenzene (5a): Starting with 1 (200 mg, 0.74 mmol), Cs2CO3 (359 mg, 1.11 mmol), Pd(PPh3)4 (3 mol%), 4-methylboronic acid (100 mg, 0.74 mmol), <strong>[133730-34-4]2,4-dimethoxyphenylboronic acid</strong> (161 mg, 0.88 mmol), 1,4-dioxane (4 mL), and 5a was isolated as a colorless highly viscous oil (140 mg, 56%). 1H NMR (300 MHz, CDCl3): δ = 2.19 (s, 3H, CH3), 3.32 (s, 3H, OCH3), 3.69 (s, 3H, OCH3), 6.17 (d, J = 2.3 Hz, 1H, Ar), 6.32 (dd, J = 8.3, 2.3 Hz, 1H, Ar), 6.74-6.83 (m, 2H, Ar), 6.86-6.91 (m, 5H, Ar). 13C NMR (62.89 MHz, CDCl3): δ = 21.2 (CH3), 55.0 (OCH3), 55.3 (OCH3), 98.4 (CH), 102.5 (t, J = 26.3 Hz, CH), 104.1 (CH), 113.6 (dd, J = 21.9, 3.6 Hz, CH), 121.5 (t, J = 2.8 Hz, C), 125.7 (dd, J = 15.3, 3.6 Hz, C), 128.1 (2CH), 130.0 (2CH), 131.1 (C), 131.6 (CH), 136.4 (C), 141.2 (dd, J = 9.6, 4.5 Hz, C), 157.0 (C), 159.8 (dd, JCF = 246.8, 13.0 Hz, CF), 160.6 (C), 161.1 (dd, JCF = 247.1, 13.4 Hz, C). 19F NMR (282.4 MHz, CDCl3): δ = -111.86 (CF), -112.9 (CF). IR (ATR): , 2998 (w), 2956 (w), 2836 (w), 1736 (w), 1609 (s), 1586 (s), 1508 (s), 1454 (s), 1425 (m), 1401 (m), 1372 (w), 1303 (s), 1255 (m), 1184 (w), 1158 (s), 1145 (s), 1092 (s), 1032 (s), 996 (s), 925 (m), 861 (w), 834 (m), 818 (s), 796 (m), 736 (w), 718 (w), 663 (w), 607 (w), 587 (m) cm-1. MS (EI, 70 eV): m/z (%) = 340 (100) [M]+, 294 (11), 265 (13), 238 (12). ESI-HRM S calcd. for C21H19F2O2 [M + H]+: 341.1348; found 341.1348.
  • 6
  • [ 5720-05-8 ]
  • [ 133730-34-4 ]
  • [ 139215-43-3 ]
  • [ 1232345-15-1 ]
YieldReaction ConditionsOperation in experiment
48% General procedure: 5.6 1-(2',4'-Dimethoxyphenyl)-2-(4"-methylphenyl)-3,5-difluorobenzene (5f): Starting with 1 (200 mg, 0.74 mmol), Cs2CO3 (359 mg, 1.11 mmol), Pd(PPh3)4 (3 mol%), <strong>[133730-34-4]2,4-dimethoxyphenylboronic acid</strong> (134 mg, 0.74 mmol), 1,4-dioxane (4 mL), and 4-methylboronic acid (121 mg, 0.89 mmol), 5f was isolated as a colorless highly viscous oil (121 mg, 48%). 1H NMR (300 MHz, CDCl3): δ = 2.19 (s, 3H, CH3), 3.32 (s, 3H, OCH3), 3.69 (s, 3H, OCH3), 6.17 (d, J = 2.3 Hz, 1H, Ar), 6.32 (dd, J = 8.3, 2.3 Hz, 1H, Ar), 6.74-6.83 (m, 2H, Ar), 6.86-6.91 (m, 5H, Ar). 13C NMR (62.89 MHz, CDCl3): δ = 21.2 (CH3), 55.0 (OCH3), 55.3 (OCH3), 98.4 (CH), 102.5 (t, J = 26.3 Hz, CH), 104.1 (CH), 113.6 (dd, J = 21.9, 3.6 Hz, CH), 121.5 (t, J = 2.8 Hz, C), 125.7 (dd, J = 15.3, 3.6 Hz, C), 128.1 (2CH), 130.0 (2CH), 131.1 (C), 131.6 (CH), 136.4 (C), 141.2 (dd, J = 9.6, 4.5 Hz, C), 157.0 (C), 159.8 (dd, JCF = 246.8, 13.0 Hz, CF), 160.6 (C), 161.1 (dd, JCF = 247.1, 13.4 Hz, C). 19F NMR (282.4 MHz, CDCl3): δ = -111.86 (CF), -112.9 (CF). IR (ATR): , 2998 (w), 2956 (w), 2836 (w), 1736 (w), 1609 (s), 1586 (s), 1508 (s), 1454 (s), 1425 (m), 1401 (m), 1372 (w), 1303 (s), 1255 (m), 1184 (w), 1158 (s), 1145 (s), 1092 (s), 1032 (s), 996 (s), 925 (m), 861 (w), 834 (m), 818 (s), 796 (m), 736 (w), 718 (w), 663 (w), 607 (w), 587 (m) cm-1. MS (EI, 70 eV): m/z (%) = 340 (100) [M]+, 294 (11), 265 (13), 238 (12). ESI-HRMS calcd. for C21H19F2O2 [M + H]+: 341.1348; found 341.1348.
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 139215-43-3 ]

Fluorinated Building Blocks

Chemical Structure| 179737-33-8

A159481 [179737-33-8]

2,3-Dibromo-1,4-difluorobenzene

Similarity: 0.96

Chemical Structure| 811711-33-8

A144318 [811711-33-8]

1,2-Dibromo-3-fluorobenzene

Similarity: 0.96

Chemical Structure| 827-08-7

A103640 [827-08-7]

1,2-Dibromo-3,4,5,6-tetrafluorobenzene

Similarity: 0.93

Chemical Structure| 17299-94-4

A588679 [17299-94-4]

1,2-Dibromo-3,4,5-trifluorobenzene

Similarity: 0.93

Chemical Structure| 2839-37-4

A476461 [2839-37-4]

1,2,5-Tribromo-3-fluorobenzene

Similarity: 0.93

Aryls

Chemical Structure| 179737-33-8

A159481 [179737-33-8]

2,3-Dibromo-1,4-difluorobenzene

Similarity: 0.96

Chemical Structure| 811711-33-8

A144318 [811711-33-8]

1,2-Dibromo-3-fluorobenzene

Similarity: 0.96

Chemical Structure| 827-08-7

A103640 [827-08-7]

1,2-Dibromo-3,4,5,6-tetrafluorobenzene

Similarity: 0.93

Chemical Structure| 17299-94-4

A588679 [17299-94-4]

1,2-Dibromo-3,4,5-trifluorobenzene

Similarity: 0.93

Chemical Structure| 7655-70-1

A584808 [7655-70-1]

1,2,4-Tribromo-5-fluorobenzene

Similarity: 0.93

Bromides

Chemical Structure| 179737-33-8

A159481 [179737-33-8]

2,3-Dibromo-1,4-difluorobenzene

Similarity: 0.96

Chemical Structure| 811711-33-8

A144318 [811711-33-8]

1,2-Dibromo-3-fluorobenzene

Similarity: 0.96

Chemical Structure| 827-08-7

A103640 [827-08-7]

1,2-Dibromo-3,4,5,6-tetrafluorobenzene

Similarity: 0.93

Chemical Structure| 17299-94-4

A588679 [17299-94-4]

1,2-Dibromo-3,4,5-trifluorobenzene

Similarity: 0.93

Chemical Structure| 2839-37-4

A476461 [2839-37-4]

1,2,5-Tribromo-3-fluorobenzene

Similarity: 0.93