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[ CAS No. 4206-67-1 ] {[proInfo.proName]}

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
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Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 4206-67-1
Chemical Structure| 4206-67-1
Structure of 4206-67-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 4206-67-1 ]

CAS No. :4206-67-1 MDL No. :MFCD00001077
Formula : C4H11ISi Boiling Point : -
Linear Structure Formula :- InChI Key :VZNYXGQMDSRJAL-UHFFFAOYSA-N
M.W : 214.12 Pubchem ID :77877
Synonyms :

Calculated chemistry of [ 4206-67-1 ]

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 42.17
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.35
Log Po/w (XLOGP3) : 3.35
Log Po/w (WLOGP) : 2.3
Log Po/w (MLOGP) : 2.6
Log Po/w (SILICOS-IT) : 0.57
Consensus Log Po/w : 2.23

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.21
Solubility : 0.131 mg/ml ; 0.000614 mol/l
Class : Soluble
Log S (Ali) : -3.03
Solubility : 0.201 mg/ml ; 0.000939 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.51
Solubility : 0.666 mg/ml ; 0.00311 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.41

Safety of [ 4206-67-1 ]

Signal Word:Danger Class:3,8
Precautionary Statements:P261-P305+P351+P338 UN#:2924
Hazard Statements:H225-H315-H318-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 4206-67-1 ]

* 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.

  • Upstream synthesis route of [ 4206-67-1 ]
  • Downstream synthetic route of [ 4206-67-1 ]

[ 4206-67-1 ] Synthesis Path-Upstream   1~14

  • 1
  • [ 628-17-1 ]
  • [ 18243-41-9 ]
  • [ 110-53-2 ]
  • [ 4206-67-1 ]
Reference: [1] Tetrahedron Letters, 1981, vol. 22, # 14, p. 1295 - 1298
  • 2
  • [ 2344-80-1 ]
  • [ 4206-67-1 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989, p. 115 - 124
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980, p. 1493 - 1498
[3] Synthesis, 1980, # 4, p. 318 - 320
[4] Journal of Physical Organic Chemistry, 1999, vol. 12, # 7, p. 564 - 576
[5] Journal of the American Chemical Society, 1989, vol. 111, # 18, p. 7199 - 7205
[6] Journal of the American Chemical Society, 1946, vol. 68, p. 481,483
[7] Collection of Czechoslovak Chemical Communications, 1978, vol. 43, p. 3192 - 3201
[8] Journal of Organometallic Chemistry, 1976, vol. 111, p. 153 - 160
[9] Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical, 1970, p. 2285 - 2291
[10] Journal of Organic Chemistry, 1997, vol. 62, # 24, p. 8595 - 8596
[11] Bulletin of the Chemical Society of Japan, 1999, vol. 72, # 4, p. 741 - 750
[12] Organic Letters, 2004, vol. 6, # 16, p. 2709 - 2711
[13] Journal of Materials Chemistry, 2010, vol. 20, # 38, p. 8224 - 8226
[14] Chemical Science, 2014, vol. 5, # 10, p. 3983 - 3994
[15] Organometallics, 2017, vol. 36, # 20, p. 3981 - 3986
  • 3
  • [ 7681-82-5 ]
  • [ 2344-80-1 ]
  • [ 4206-67-1 ]
Reference: [1] Journal of the American Chemical Society, [2] Journal of the American Chemical Society, 1946, vol. 68, p. 481 - 484
[3] , Gmelin Handbook: Si: MVol.C, 4, page 14 - 18,
[4] Journal of the American Chemical Society, 1947, vol. 69, p. 1976
[5] , Gmelin Handbook: Si: MVol.C, 3, page 11 - 14,
  • 4
  • [ 186581-53-3 ]
  • [ 16029-98-4 ]
  • [ 4206-67-1 ]
Reference: [1] Synthesis, 1988, # 4, p. 318 - 319
  • 5
  • [ 75-77-4 ]
  • [ 75-47-8 ]
  • [ 4206-67-1 ]
  • [ 29955-07-5 ]
  • [ 29954-87-8 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 2004, vol. 77, # 8, p. 1581 - 1586
  • 6
  • [ 18297-50-2 ]
  • [ 4206-67-1 ]
  • [ 811-73-4 ]
Reference: [1] Organometallics, [2] Organometallics, 1985, vol. 4, p. 821 - 825
[3] Organometallics, [4] Organometallics, 1985, vol. 4, p. 821 - 825
[5] Organometallics, [6] Organometallics, 1985, vol. 4, p. 821 - 825
  • 7
  • [ 1822-00-0 ]
  • [ 74-88-4 ]
  • [ 3439-38-1 ]
  • [ 4206-67-1 ]
  • [ 6231-76-1 ]
  • [ 917-54-4 ]
  • [ 48003-18-5 ]
Reference: [1] Journal of the American Chemical Society, 2014, vol. 136, # 15, p. 5765 - 5772
  • 8
  • [ 917-64-6 ]
  • [ 1558-25-4 ]
  • [ 4206-67-1 ]
Reference: [1] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1954, p. 504,508;engl.Ausg.S.429,432
  • 9
  • [ 542-69-8 ]
  • [ 18243-41-9 ]
  • [ 109-65-9 ]
  • [ 4206-67-1 ]
Reference: [1] Tetrahedron Letters, 1981, vol. 22, # 14, p. 1295 - 1298
  • 10
  • [ 628-17-1 ]
  • [ 18243-41-9 ]
  • [ 110-53-2 ]
  • [ 4206-67-1 ]
Reference: [1] Tetrahedron Letters, 1981, vol. 22, # 14, p. 1295 - 1298
  • 11
  • [ 542-69-8 ]
  • [ 2344-80-1 ]
  • [ 109-69-3 ]
  • [ 4206-67-1 ]
Reference: [1] Tetrahedron Letters, 1981, vol. 22, # 14, p. 1295 - 1298
  • 12
  • [ 628-17-1 ]
  • [ 2344-80-1 ]
  • [ 543-59-9 ]
  • [ 4206-67-1 ]
Reference: [1] Tetrahedron Letters, 1981, vol. 22, # 14, p. 1295 - 1298
  • 13
  • [ 917-64-6 ]
  • [ 1558-25-4 ]
  • [ 4206-67-1 ]
  • [ 2344-80-1 ]
Reference: [1] Doklady Akademii Nauk SSSR, 1954, vol. 94, p. 485[2] Chem.Abstr., 1955, p. 3795
  • 14
  • [ 4206-67-1 ]
  • [ 100-46-9 ]
  • [ 53215-95-5 ]
YieldReaction ConditionsOperation in experiment
89% With potassium carbonate In acetonitrile at 20℃; for 12 h; General procedure: Individual solutions of benzylamine derivatives (24.3 mmol of 37 (2.6 g), 28.0 mmol of 38 (3.4 g), 28.0 mmol of 39 (3.8 g), 11.2 mmol of 40 (1.4 g), 11.2 mmol of 41(2.0 g)) in acetonitrile (120 mL) containing K2CO3 (5.2 g (37.4 mmol) for 37, 6.5 g ( 46.7 mmol) for38-39, and 2.6 g (18.7 mmol) for 40-41) and Me3SiCH2I (4.0 g (18.7 mmol) for 37, 5.0 g (23.4 mmol) for 38-39, and 2.0 g (9.3 mmol) for 40-41) were stirred for 12 h at room temperature and concentrated in vacuo to give residues which were triturated with CH2Cl2. The triturates were dried and concentrated in vacuo to afford residues, which were subjected to silica gel column chromatography (EtOAc: hexane = 1: 8 ~ 1: 15) to yield 421 (3.2 g, 89percent), 43 (3.85 g, 79percent), 442 (3.3g, 63percent), 45 (1.51 g, 76 percent), and 46 (1.9 g, 78 percent).
Reference: [1] Tetrahedron Letters, 2015, vol. 56, # 23, p. 3014 - 3018
[2] Organic and Biomolecular Chemistry, 2016, vol. 14, # 44, p. 10502 - 10510
[3] Tetrahedron Letters, 2017, vol. 58, # 10, p. 949 - 954
[4] Tetrahedron, 2017, vol. 73, # 44, p. 6249 - 6261
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